hexyl-dimethoxy-nonadecylsilane

C27H58O2Si — CID 139614220

IUPAChexyl-dimethoxy-nonadecylsilane
SMILESCCCCCCCCCCCCCCCCCCC[Si](CCCCCC)(OC)OC
InChIInChI=1S/C27H58O2Si/c1-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-25-27-30(28-3,29-4)26-24-10-8-6-2/h5-27H2,1-4H3
InChIKeyJZSMMASSEMTUCH-UHFFFAOYSA-N
MW442.85 g/mol
LogP9.95
Rot. Bonds25

About hexyl-dimethoxy-nonadecylsilane

hexyl-dimethoxy-nonadecylsilane (PubChem CID 139614220) has the molecular formula C27H58O2Si and a molecular weight of 442.85 g/mol. Its IUPAC name is hexyl-dimethoxy-nonadecylsilane.

Molecular Properties

Compound Namehexyl-dimethoxy-nonadecylsilane
PubChem CID139614220
Molecular FormulaC27H58O2Si
Molecular Weight442.85 g/mol
Exact Mass442.42
IUPAC Namehexyl-dimethoxy-nonadecylsilane
SMILESCCCCCCCCCCCCCCCCCCC[Si](CCCCCC)(OC)OC
InChIInChI=1S/C27H58O2Si/c1-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-25-27-30(28-3,29-4)26-24-10-8-6-2/h5-27H2,1-4H3
InChIKeyJZSMMASSEMTUCH-UHFFFAOYSA-N
XLogP9.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds25
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.85
LogP ≤ 59.95
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
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
hexadecyl-icosyl-dimethoxysilane
CID 139614225
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 hexyl-dimethoxy-nonadecylsilane?
The IUPAC name of hexyl-dimethoxy-nonadecylsilane (CID 139614220) is hexyl-dimethoxy-nonadecylsilane.
What is the SMILES notation for hexyl-dimethoxy-nonadecylsilane?
The canonical SMILES for hexyl-dimethoxy-nonadecylsilane is CCCCCCCCCCCCCCCCCCC[Si](CCCCCC)(OC)OC.
What is the InChIKey of hexyl-dimethoxy-nonadecylsilane?
The InChIKey is JZSMMASSEMTUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H58O2Si/c1-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-25-27-30(28-3,29-4)26-24-10-8-6-2/h5-27H2,1-4H3.
What are the key properties of hexyl-dimethoxy-nonadecylsilane?
hexyl-dimethoxy-nonadecylsilane has a molecular weight of 442.85 g/mol, XLogP of 9.95, 25 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl-dimethoxy-nonadecylsilane is sourced from PubChem (CID 139614220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).