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CAS 18159-55-2 TRI-T-BUTYLSILANE molecular structure lightbox
CAS RN: 18159-55-2

TRI-T-BUTYLSILANE

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  • Product code: starshine_CAS18159-55-2
  • Purity/Analytical Methods: >99.0%
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18159-55-2 / TRI-T-BUTYLSILANE

Standard CAS: 18159-55-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
18159-55-2
Multi CAS
No
Molecular Formula
C12H27Si
Molecular Weight
199.430000
Exact Mass
199.188202
SMILES
CC(C)(C)[Si](C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C12H27Si/c1-10(2,3)13(11(4,5)6)12(7,8)9/h1-9H3
InChIKey
STDLEZMOAXZZNH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Fraction Csp3
1
Rotatable bonds
3
Molar refractivity
64.9
TPSA
0.0000

LogP / Solubility

WLOGP
4.88
MLOGP
4.3
XLogP3
4.88
Consensus LogP
4.69
Log S (ESOL)
-4.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.01
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)
-0.47

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)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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