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CAS 18297-79-5 BIS(METHYLDIMETHOXYSILYL)METHANE molecular structure lightbox
CAS RN: 18297-79-5

BIS(METHYLDIMETHOXYSILYL)METHANE

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  • Product code: starshine_CAS18297-79-5
  • Purity/Analytical Methods: >99.0%
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18297-79-5 / [dimethoxy(methyl)silyl]methyl-dimethoxy-methylsilane

Standard CAS: 18297-79-5 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
18297-79-5
Multi CAS
No
Molecular Formula
C7H20O4Si2
Molecular Weight
224.400000
Exact Mass
224.090012
SMILES
CO[Si](C)(C[Si](C)(OC)OC)OC
InChI
InChI=1S/C7H20O4Si2/c1-8-12(5,9-2)7-13(6,10-3)11-4/h7H2,1-6H3
InChIKey
IBSRZWOEDXOVEO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
56.08
TPSA
36.92

LogP / Solubility

WLOGP
1.26
MLOGP
1.11
XLogP3
1.26
Consensus LogP
1.21
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-2.31
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.88
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)
-3.2

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

Safety & Transport

Pictogram(s)
Flammable Irritant
Signal
Warning
GHS Hazard Statements
H226 (91.7%): Flammable liquid and vapor [Warning Flammable liquids] H302 (91.7%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (91.7%): Harmful in contact with skin [Warning Acute toxicity, dermal] H332 (91.7%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P317, P321, P330, P362+P364, P370+P378, P403+P235, and P501

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