CID 18454284

C27H63O9Si4 — CID 18454284

IUPAC—
SMILESCO[Si](CCCCCC[Si](CCCCCC[Si](OC)(OC)OC)CCCCCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C27H63O9Si4/c1-28-38(29-2,30-3)25-19-13-10-16-22-37(23-17-11-14-20-26-39(31-4,32-5)33-6)24-18-12-15-21-27-40(34-7,35-8)36-9/h10-27H2,1-9H3
InChIKeyJUKMPSWVKDLGBM-UHFFFAOYSA-N
MW644.14 g/mol
LogP6.80
Rot. Bonds30

About CID 18454284

CID 18454284 (PubChem CID 18454284) has the molecular formula C27H63O9Si4 and a molecular weight of 644.14 g/mol.

Molecular Properties

Compound NameCID 18454284
PubChem CID18454284
Molecular FormulaC27H63O9Si4
Molecular Weight644.14 g/mol
Exact Mass643.35
IUPAC Name—
SMILESCO[Si](CCCCCC[Si](CCCCCC[Si](OC)(OC)OC)CCCCCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C27H63O9Si4/c1-28-38(29-2,30-3)25-19-13-10-16-22-37(23-17-11-14-20-26-39(31-4,32-5)33-6)24-18-12-15-21-27-40(34-7,35-8)36-9/h10-27H2,1-9H3
InChIKeyJUKMPSWVKDLGBM-UHFFFAOYSA-N
XLogP6.80
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds30
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.14
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

trimethoxy(6-trimethoxysilylhexyl)silane
CID 158013726
CID 22022669
CID 22022669
hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
36-trimethoxysilylhexatriacontan-1-amine
CID 87680936
trimethoxy(pentacontyl)silane
CID 87930715
hexacosyl(trimethoxy)silane
CID 150262252
dodecyl(trimethoxy)silane;octane
CID 174570785
33-trimethoxysilyltritriacontan-1-amine
CID 87686996
decyl(trimethoxy)silane;hexyl(trimethoxy)silane
CID 22665206
31-trimethoxysilylhentriacontan-1-ol
CID 87684107
25-bromopentacosyl(trimethoxy)silane
CID 87680868
22-bromodocosyl(trimethoxy)silane
CID 87682578

Frequently Asked Questions

What is the IUPAC name of CID 18454284?
The IUPAC name of CID 18454284 (CID 18454284) is not available.
What is the SMILES notation for CID 18454284?
The canonical SMILES for CID 18454284 is CO[Si](CCCCCC[Si](CCCCCC[Si](OC)(OC)OC)CCCCCC[Si](OC)(OC)OC)(OC)OC.
What is the InChIKey of CID 18454284?
The InChIKey is JUKMPSWVKDLGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H63O9Si4/c1-28-38(29-2,30-3)25-19-13-10-16-22-37(23-17-11-14-20-26-39(31-4,32-5)33-6)24-18-12-15-21-27-40(34-7,35-8)36-9/h10-27H2,1-9H3.
What are the key properties of CID 18454284?
CID 18454284 has a molecular weight of 644.14 g/mol, XLogP of 6.80, 30 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18454284 is sourced from PubChem (CID 18454284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).