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CAS 14986-21-1 HEXACHLORODISILOXANE molecular structure lightbox
CAS RN: 14986-21-1

HEXACHLORODISILOXANE

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  • Product code: starshine_CAS14986-21-1
  • Purity/Analytical Methods: >99.0%
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14986-21-1 / trichloro(trichlorosilyloxy)silane

Standard CAS: 14986-21-1 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
14986-21-1
Multi CAS
No
Molecular Formula
Cl6OSi2
Molecular Weight
284.900000
Exact Mass
283.758934
SMILES
O([Si](Cl)(Cl)Cl)[Si](Cl)(Cl)Cl
InChI
InChI=1S/Cl6OSi2/c1-8(2,3)7-9(4,5)6
InChIKey
QHAHOIWVGZZELU-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Rotatable bonds
2
H-bond acceptors
1
Molar refractivity
47.71
TPSA
9.23

LogP / Solubility

WLOGP
3.31
MLOGP
2.92
XLogP3
3.31
Consensus LogP
3.18
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.28
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
Class (SILICOS-IT)
Slightly 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)
-2.11

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Flammable Corrosive
Signal
Danger
GHS Hazard Statements
H225 (61.3%): Highly Flammable liquid and vapor [Danger Flammable liquids] H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement Codes
P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501

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