ethenyl-methyl-pentan-2-yloxy-tridecoxysilane

C21H44O2Si — CID 91742131

IUPACethenyl-methyl-pentan-2-yloxy-tridecoxysilane
SMILESC=C[Si](C)(OCCCCCCCCCCCCC)OC(C)CCC
InChIInChI=1S/C21H44O2Si/c1-6-9-10-11-12-13-14-15-16-17-18-20-22-24(5,8-3)23-21(4)19-7-2/h8,21H,3,6-7,9-20H2,1-2,4-5H3
InChIKeyMPXRAYYLRFMNJI-UHFFFAOYSA-N
MW356.67 g/mol
LogP7.32
Rot. Bonds18

About ethenyl-methyl-pentan-2-yloxy-tridecoxysilane

ethenyl-methyl-pentan-2-yloxy-tridecoxysilane (PubChem CID 91742131) has the molecular formula C21H44O2Si and a molecular weight of 356.67 g/mol. Its IUPAC name is ethenyl-methyl-pentan-2-yloxy-tridecoxysilane.

Molecular Properties

Compound Nameethenyl-methyl-pentan-2-yloxy-tridecoxysilane
PubChem CID91742131
Molecular FormulaC21H44O2Si
Molecular Weight356.67 g/mol
Exact Mass356.31
IUPAC Nameethenyl-methyl-pentan-2-yloxy-tridecoxysilane
SMILESC=C[Si](C)(OCCCCCCCCCCCCC)OC(C)CCC
InChIInChI=1S/C21H44O2Si/c1-6-9-10-11-12-13-14-15-16-17-18-20-22-24(5,8-3)23-21(4)19-7-2/h8,21H,3,6-7,9-20H2,1-2,4-5H3
InChIKeyMPXRAYYLRFMNJI-UHFFFAOYSA-N
XLogP7.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.67
LogP ≤ 57.32
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-heptadecoxy-methyl-pentan-2-yloxysilane
CID 91744084
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
dodecoxy-ethenyl-methyl-undecoxysilane
CID 91744966
ethenyl-heptoxy-hexadecoxy-methylsilane
CID 91744965
ethenyl-heptoxy-methyl-tridecoxysilane
CID 91744074
dodecoxy-ethenyl-methyl-pentadecoxysilane
CID 91745623
decoxy-ethenyl-methyl-nonoxysilane
CID 91743696
ethenyl-heptoxy-methyl-tetradecoxysilane
CID 91744411
ethenyl-heptadecoxy-heptan-3-yloxy-methylsilane
CID 91744420
ethenyl-heptan-3-yloxy-methyl-tetradecoxysilane
CID 91743295

Frequently Asked Questions

What is the IUPAC name of ethenyl-methyl-pentan-2-yloxy-tridecoxysilane?
The IUPAC name of ethenyl-methyl-pentan-2-yloxy-tridecoxysilane (CID 91742131) is ethenyl-methyl-pentan-2-yloxy-tridecoxysilane.
What is the SMILES notation for ethenyl-methyl-pentan-2-yloxy-tridecoxysilane?
The canonical SMILES for ethenyl-methyl-pentan-2-yloxy-tridecoxysilane is C=C[Si](C)(OCCCCCCCCCCCCC)OC(C)CCC.
What is the InChIKey of ethenyl-methyl-pentan-2-yloxy-tridecoxysilane?
The InChIKey is MPXRAYYLRFMNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44O2Si/c1-6-9-10-11-12-13-14-15-16-17-18-20-22-24(5,8-3)23-21(4)19-7-2/h8,21H,3,6-7,9-20H2,1-2,4-5H3.
What are the key properties of ethenyl-methyl-pentan-2-yloxy-tridecoxysilane?
ethenyl-methyl-pentan-2-yloxy-tridecoxysilane has a molecular weight of 356.67 g/mol, XLogP of 7.32, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-methyl-pentan-2-yloxy-tridecoxysilane is sourced from PubChem (CID 91742131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).