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CAS 556-71-8 Octadecamethylcyclononasiloxane molecular structure lightbox
CAS RN: 556-71-8

Octadecamethylcyclononasiloxane

  • Product code: SSC-163531
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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: 1ml
  • Available purity: ≥98%
  • 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 556-71-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
1ml ≥98% 0 Out of Stock Beijing Inquiry

556-71-8 / 2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18-octadecamethyl-1,3,5,7,9,11,13,15,17-nonaoxa-2,4,6,8,10,12,14,16,18-nonasilacyclooctadecane

Standard CAS: 556-71-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
556-71-8
Multi CAS
No
Molecular Formula
C18H54O9Si9
Molecular Weight
667.400000
Exact Mass
666.169122
InChI
InChI=1S/C18H54O9Si9/c1-28(2)19-29(3,4)21-31(7,8)23-33(11,12)25-35(15,16)27-36(17,18)26-34(13,14)24-32(9,10)22-30(5,6)20-28/h1-18H3
InChIKey
ISXOGOLHEGHGQF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
36
Fraction Csp3
1
H-bond acceptors
9
Molar refractivity
167.1
TPSA
83.07

LogP / Solubility

WLOGP
6.47
MLOGP
5.75
XLogP3
6.47
Consensus LogP
6.23
Log S (ESOL)
-8.05
Class (ESOL)
Insoluble
Log S (Ali)
-9.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.36
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.2

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5.5

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