hexadecyl-icosyl-dimethoxysilane

C38H80O2Si — CID 139614225

IUPAChexadecyl-icosyl-dimethoxysilane
SMILESCCCCCCCCCCCCCCCCCCCC[Si](CCCCCCCCCCCCCCCC)(OC)OC
InChIInChI=1S/C38H80O2Si/c1-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-41(39-3,40-4)37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-2/h5-38H2,1-4H3
InChIKeyHEWRXSUZFZCGMI-UHFFFAOYSA-N
MW597.14 g/mol
LogP14.24
Rot. Bonds36

About hexadecyl-icosyl-dimethoxysilane

hexadecyl-icosyl-dimethoxysilane (PubChem CID 139614225) has the molecular formula C38H80O2Si and a molecular weight of 597.14 g/mol. Its IUPAC name is hexadecyl-icosyl-dimethoxysilane.

Molecular Properties

Compound Namehexadecyl-icosyl-dimethoxysilane
PubChem CID139614225
Molecular FormulaC38H80O2Si
Molecular Weight597.14 g/mol
Exact Mass596.59
IUPAC Namehexadecyl-icosyl-dimethoxysilane
SMILESCCCCCCCCCCCCCCCCCCCC[Si](CCCCCCCCCCCCCCCC)(OC)OC
InChIInChI=1S/C38H80O2Si/c1-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-41(39-3,40-4)37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-2/h5-38H2,1-4H3
InChIKeyHEWRXSUZFZCGMI-UHFFFAOYSA-N
XLogP14.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds36
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.14
LogP ≤ 514.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

dimethoxy-nonadecyl-nonylsilane
CID 139614040
dimethoxy-octyl-pentylsilane
CID 139614094
hexyl-dimethoxy-nonadecylsilane
CID 139614220
dimethoxy-pentadecyl-undecylsilane
CID 139614261
hexyl-dimethoxy-undecylsilane
CID 139614316
dimethoxy-nonyl-tridecylsilane
CID 139614257
dimethoxy-nonadecyl-pentadecylsilane
CID 139614324
heptyl-dimethoxy-undecylsilane
CID 139614038
butyl-decyl-dimethoxysilane
CID 141135588
butyl-dimethoxy-tetradecylsilane
CID 139614249
8-[dimethoxy(propyl)silyl]octyl-dimethoxy-propylsilane
CID 87498284
decyl-dimethoxy-(trimethoxysilylmethyl)silane
CID 90416169

Frequently Asked Questions

What is the IUPAC name of hexadecyl-icosyl-dimethoxysilane?
The IUPAC name of hexadecyl-icosyl-dimethoxysilane (CID 139614225) is hexadecyl-icosyl-dimethoxysilane.
What is the SMILES notation for hexadecyl-icosyl-dimethoxysilane?
The canonical SMILES for hexadecyl-icosyl-dimethoxysilane is CCCCCCCCCCCCCCCCCCCC[Si](CCCCCCCCCCCCCCCC)(OC)OC.
What is the InChIKey of hexadecyl-icosyl-dimethoxysilane?
The InChIKey is HEWRXSUZFZCGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H80O2Si/c1-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-41(39-3,40-4)37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-2/h5-38H2,1-4H3.
What are the key properties of hexadecyl-icosyl-dimethoxysilane?
hexadecyl-icosyl-dimethoxysilane has a molecular weight of 597.14 g/mol, XLogP of 14.24, 36 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecyl-icosyl-dimethoxysilane is sourced from PubChem (CID 139614225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).