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CAS 4209-90-9 2,2-Dimethyl-3-hexanol molecular structure lightbox
CAS RN: 4209-90-9

2,2-Dimethyl-3-hexanol

  • Product code: SSC-150415
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 10ml
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 4209-90-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
10ml ＞97% 0 Out of Stock Beijing Inquiry

4209-90-9 / 2-[(2-methylpropan-2-yl)oxy]butane

Standard CAS: 4209-90-9 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4209-90-9
Multi CAS
Yes
Molecular Formula
C8H18O
Molecular Weight
130.230000
Exact Mass
130.135765
InChI
InChI=1S/C8H18O/c1-6-7(2)9-8(3,4)5/h7H,6H2,1-5H3
InChIKey
WMZNUJPPIPVIOD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
40.59
TPSA
9.23

LogP / Solubility

WLOGP
2.6
MLOGP
2.28
XLogP3
2.4
Consensus LogP
2.43
Log S (ESOL)
-2.15
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.51
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.67

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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