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CAS 16106-81-3 1,11-Dichloro-1,1,3,3,5,5,7,7,9,9,11,11-dodecamethylhexasiloxane molecular structure lightbox
CAS RN: 16106-81-3

1,11-Dichloro-1,1,3,3,5,5,7,7,9,9,11,11-dodecamethylhexasiloxane

  • Product code: SSC-068809
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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: 1g
  • Available purity: ≥95%
  • 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 16106-81-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

16106-81-3 / chloro-[[[[[chloro(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilane

Standard CAS: 16106-81-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
16106-81-3
Multi CAS
No
Molecular Formula
C12H36Cl2O5Si6
Molecular Weight
499.800000
Exact Mass
498.055539
SMILES
C[Si](C)(O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)Cl)O[Si](C)(C)O[Si](C)(C)Cl
InChI
InChI=1S/C12H36Cl2O5Si6/c1-20(2,13)15-22(5,6)17-24(9,10)19-25(11,12)18-23(7,8)16-21(3,4)14/h1-12H3
InChIKey
IHILIQBLBAJDOJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Fraction Csp3
1
Rotatable bonds
10
H-bond acceptors
5
Molar refractivity
122.02
TPSA
46.15

LogP / Solubility

WLOGP
5.76
MLOGP
5.1
XLogP3
5.76
Consensus LogP
5.54
Log S (ESOL)
-5.91
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.82
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.89
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.68

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
2.5

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