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CAS 1112-39-6 Dimethoxydimethylsilane molecular structure lightbox
CAS RN: 1112-39-6

Dimethoxydimethylsilane

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Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260507 25g / 100g / 500g / 2.5kg / 10kg Confirm by inquiry Shanghai, Shandong, Guangdong, Hebei, Chongqing Inquiry
  • Product code: ICTD1052
  • Purity/Analytical Methods: >98.0%(GC)
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1112-39-6 / dimethoxy(dimethyl)silane

Dimethoxydimethylsilane | Dimethyldimethoxysilane | Silane, dimethoxydimethyl-

Standard CAS: 1112-39-6 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1112-39-6
Multi CAS
No
Molecular Formula
C4H12O2Si
Molecular Weight
120.220000
Exact Mass
120.060656
SMILES
CO[Si](C)(C)OC
InChI
InChI=1S/C4H12O2Si/c1-5-7(3,4)6-2/h1-4H3
InChIKey
JJQZDUKDJDQPMQ-UHFFFAOYSA-N
Synonyms
Dimethoxydimethylsilane Dimethyldimethoxysilane Silane, dimethoxydimethyl- KBM 22 TSL 8112

Physical Properties

Physical Description
Liquid Colorless liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
7
Fraction Csp3
1
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
31.5
TPSA
18.46

LogP / Solubility

WLOGP
0.98
MLOGP
0.85
XLogP3
0.98
Consensus LogP
0.94
Log S (ESOL)
-1.07
Class (ESOL)
Soluble
Log S (Ali)
-1.25
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.5
Class (SILICOS-IT)
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)
-2.76

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Flammable Irritant Health Hazard
Signal
Danger
GHS Hazard Statements
H225 (96.4%): Highly Flammable liquid and vapor [Danger Flammable liquids] H319 (16.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H361 (31.4%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity] H361f (13.6%): Suspected of damaging fertility [Warning Reproductive toxicity]
Precautionary Statement Codes
P203, P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P351+P338, P318, P337+P317, P370+P378, P403+P235, P405, and P501

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