ethenyl-heptadecoxy-methyl-pentan-2-yloxysilane

C25H52O2Si — CID 91744084

IUPACethenyl-heptadecoxy-methyl-pentan-2-yloxysilane
SMILESC=C[Si](C)(OCCCCCCCCCCCCCCCCC)OC(C)CCC
InChIInChI=1S/C25H52O2Si/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-26-28(5,8-3)27-25(4)23-7-2/h8,25H,3,6-7,9-24H2,1-2,4-5H3
InChIKeyGMRVWXNCRXRZCL-UHFFFAOYSA-N
MW412.78 g/mol
LogP8.88
Rot. Bonds22

About ethenyl-heptadecoxy-methyl-pentan-2-yloxysilane

ethenyl-heptadecoxy-methyl-pentan-2-yloxysilane (PubChem CID 91744084) has the molecular formula C25H52O2Si and a molecular weight of 412.78 g/mol. Its IUPAC name is ethenyl-heptadecoxy-methyl-pentan-2-yloxysilane.

Molecular Properties

Compound Nameethenyl-heptadecoxy-methyl-pentan-2-yloxysilane
PubChem CID91744084
Molecular FormulaC25H52O2Si
Molecular Weight412.78 g/mol
Exact Mass412.37
IUPAC Nameethenyl-heptadecoxy-methyl-pentan-2-yloxysilane
SMILESC=C[Si](C)(OCCCCCCCCCCCCCCCCC)OC(C)CCC
InChIInChI=1S/C25H52O2Si/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-26-28(5,8-3)27-25(4)23-7-2/h8,25H,3,6-7,9-24H2,1-2,4-5H3
InChIKeyGMRVWXNCRXRZCL-UHFFFAOYSA-N
XLogP8.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.78
LogP ≤ 58.88
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

ethenyl-methyl-pentan-2-yloxy-tridecoxysilane
CID 91742131
ethenyl-methyl-octan-4-yloxy-tridecoxysilane
CID 91743291
2,4-dimethylpentan-3-yloxy-ethenyl-heptoxy-methylsilane
CID 91739060
ethenyl-ethoxy-methyl-octan-2-yloxysilane
CID 91723234
ethenyl-heptoxy-methyl-tridecoxysilane
CID 91744074
dodecoxy-ethenyl-methyl-pentadecoxysilane
CID 91745623
dodecoxy-ethenyl-methyl-undecoxysilane
CID 91744966
ethenyl-heptoxy-hexadecoxy-methylsilane
CID 91744965
decoxy-ethenyl-methyl-nonoxysilane
CID 91743696
ethenyl-heptoxy-methyl-tetradecoxysilane
CID 91744411
ethenyl-heptan-3-yloxy-methyl-tetradecoxysilane
CID 91743295
ethenyl-heptadecoxy-heptan-3-yloxy-methylsilane
CID 91744420

Frequently Asked Questions

What is the IUPAC name of ethenyl-heptadecoxy-methyl-pentan-2-yloxysilane?
The IUPAC name of ethenyl-heptadecoxy-methyl-pentan-2-yloxysilane (CID 91744084) is ethenyl-heptadecoxy-methyl-pentan-2-yloxysilane.
What is the SMILES notation for ethenyl-heptadecoxy-methyl-pentan-2-yloxysilane?
The canonical SMILES for ethenyl-heptadecoxy-methyl-pentan-2-yloxysilane is C=C[Si](C)(OCCCCCCCCCCCCCCCCC)OC(C)CCC.
What is the InChIKey of ethenyl-heptadecoxy-methyl-pentan-2-yloxysilane?
The InChIKey is GMRVWXNCRXRZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H52O2Si/c1-6-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-26-28(5,8-3)27-25(4)23-7-2/h8,25H,3,6-7,9-24H2,1-2,4-5H3.
What are the key properties of ethenyl-heptadecoxy-methyl-pentan-2-yloxysilane?
ethenyl-heptadecoxy-methyl-pentan-2-yloxysilane has a molecular weight of 412.78 g/mol, XLogP of 8.88, 22 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-heptadecoxy-methyl-pentan-2-yloxysilane is sourced from PubChem (CID 91744084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).