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CAS 1142225-97-5 2-(6,6-DiMethyl-1-cyclohexen-1-yl)-4,4,5,5-tetraMethyl-1,3,2-dioxaborolane molecular structure lightbox
CAS RN: 1142225-97-5

2-(6,6-DiMethyl-1-cyclohexen-1-yl)-4,4,5,5-tetraMethyl-1,3,2-dioxaborolane

  • Product code: SSC-014109
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 6
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1142225-97-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g -- 5 In Stock Hong Kong Inquiry
0.1g ≥95% 5 In Stock Shanghai Inquiry
0.25g -- 5 In Stock Shenzhen Inquiry
0.25g ≥95% 5 In Stock Shenzhen Inquiry
1g -- 5 In Stock Hong Kong Inquiry
1g ≥95% 5 In Stock Shenzhen Inquiry

1142225-97-5 / 2-(6,6-dimethylcyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(6,6-DIMETHYL-1-CYCLOHEXEN-1-YL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE | 2-(6,6-dimethylcyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane | MFCD16996222

Standard CAS: 1142225-97-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1142225-97-5
Multi CAS
No
Molecular Formula
C14H25BO2
Molecular Weight
236.160000
Exact Mass
236.194760
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CCCCC2(C)C
InChI
InChI=1S/C14H25BO2/c1-12(2)10-8-7-9-11(12)15-16-13(3,4)14(5,6)17-15/h9H,7-8,10H2,1-6H3
InChIKey
NEUXXNXLYVEFOM-UHFFFAOYSA-N
Synonyms
2-(6,6-DIMETHYL-1-CYCLOHEXEN-1-YL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE 2-(6,6-dimethylcyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane MFCD16996222 2-(6,6-dimethylcyclohexen-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane 6,6-Dimethyl-1-cyclohexene-1-boronic Acid Pinacol Ester

Computed Properties

Structural Parameters

Heavy atom count
17
Fraction Csp3
0.86
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
71.8
TPSA
18.46

LogP / Solubility

WLOGP
3.75
MLOGP
3.31
XLogP3
3.75
Consensus LogP
3.6
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.43
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.5

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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