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CAS 118736-04-2 tert-Butyl[4-(dimethoxymethyl)phenoxy]dimethylsilane molecular structure lightbox
CAS RN: 118736-04-2

tert-Butyl[4-(dimethoxymethyl)phenoxy]dimethylsilane

  • Product code: SSC-018673
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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: 5g
  • Available purity: ≥98%
  • 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 118736-04-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥98% 0 Out of Stock Beijing Inquiry

118736-04-2 / tert-butyl-[4-(dimethoxymethyl)phenoxy]-dimethylsilane

tert-Butyl[4-(dimethoxymethyl)phenoxy]dimethylsilane | DTXSID20464504 | TERT-BUTYL(4-(DIMETHOXYMETHYL)PHENOXY)DIMETHYLSILANE

Standard CAS: 118736-04-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
118736-04-2
Multi CAS
No
Molecular Formula
C15H26O3Si
Molecular Weight
282.450000
Exact Mass
282.165121
SMILES
CC(C)(C)[Si](C)(C)OC1=CC=C(C=C1)C(OC)OC
InChI
InChI=1S/C15H26O3Si/c1-15(2,3)19(6,7)18-13-10-8-12(9-11-13)14(16-4)17-5/h8-11,14H,1-7H3
InChIKey
DGWQQAQYHUNLGD-UHFFFAOYSA-N
Synonyms
tert-Butyl[4-(dimethoxymethyl)phenoxy]dimethylsilane DTXSID20464504 TERT-BUTYL(4-(DIMETHOXYMETHYL)PHENOXY)DIMETHYLSILANE RefChem:1099591 DTXCID10415323

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
5
H-bond acceptors
3
Molar refractivity
81.03
TPSA
27.69

LogP / Solubility

WLOGP
4.36
MLOGP
3.85
XLogP3
4.36
Consensus LogP
4.19
Log S (ESOL)
-4.24
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.03
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.72
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)
-1.35

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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