ethenyl-heptan-3-yloxy-methyl-tetradecoxysilane

C24H50O2Si — CID 91743295

IUPACethenyl-heptan-3-yloxy-methyl-tetradecoxysilane
SMILESC=C[Si](C)(OCCCCCCCCCCCCCC)OC(CC)CCCC
InChIInChI=1S/C24H50O2Si/c1-6-10-12-13-14-15-16-17-18-19-20-21-23-25-27(5,9-4)26-24(8-3)22-11-7-2/h9,24H,4,6-8,10-23H2,1-3,5H3
InChIKeyIQHFPJABJYZVQY-UHFFFAOYSA-N
MW398.75 g/mol
LogP8.49
Rot. Bonds21

About ethenyl-heptan-3-yloxy-methyl-tetradecoxysilane

ethenyl-heptan-3-yloxy-methyl-tetradecoxysilane (PubChem CID 91743295) has the molecular formula C24H50O2Si and a molecular weight of 398.75 g/mol. Its IUPAC name is ethenyl-heptan-3-yloxy-methyl-tetradecoxysilane.

Molecular Properties

Compound Nameethenyl-heptan-3-yloxy-methyl-tetradecoxysilane
PubChem CID91743295
Molecular FormulaC24H50O2Si
Molecular Weight398.75 g/mol
Exact Mass398.36
IUPAC Nameethenyl-heptan-3-yloxy-methyl-tetradecoxysilane
SMILESC=C[Si](C)(OCCCCCCCCCCCCCC)OC(CC)CCCC
InChIInChI=1S/C24H50O2Si/c1-6-10-12-13-14-15-16-17-18-19-20-21-23-25-27(5,9-4)26-24(8-3)22-11-7-2/h9,24H,4,6-8,10-23H2,1-3,5H3
InChIKeyIQHFPJABJYZVQY-UHFFFAOYSA-N
XLogP8.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.75
LogP ≤ 58.49
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-heptan-3-yloxy-methylsilane
CID 91744420
ethenyl-methyl-octan-4-yloxy-tridecoxysilane
CID 91743291
ethenyl-(ethenyl-heptoxy-methylsilyl)oxy-methyl-octan-4-yloxysilane
CID 91740164
ethenyl-methyl-octan-4-yloxy-propoxysilane
CID 91733090
ethenyl-methyl-pentan-2-yloxy-tridecoxysilane
CID 91742131
ethenyl-heptadecoxy-methyl-pentan-2-yloxysilane
CID 91744084
dodecoxy-ethenyl-methyl-pentadecoxysilane
CID 91745623
decoxy-ethenyl-methyl-nonoxysilane
CID 91743696
ethenyl-heptoxy-methyl-tridecoxysilane
CID 91744074
ethenyl-heptoxy-methyl-tetradecoxysilane
CID 91744411
dodecoxy-ethenyl-methyl-undecoxysilane
CID 91744966
ethenyl-heptoxy-hexadecoxy-methylsilane
CID 91744965

Frequently Asked Questions

What is the IUPAC name of ethenyl-heptan-3-yloxy-methyl-tetradecoxysilane?
The IUPAC name of ethenyl-heptan-3-yloxy-methyl-tetradecoxysilane (CID 91743295) is ethenyl-heptan-3-yloxy-methyl-tetradecoxysilane.
What is the SMILES notation for ethenyl-heptan-3-yloxy-methyl-tetradecoxysilane?
The canonical SMILES for ethenyl-heptan-3-yloxy-methyl-tetradecoxysilane is C=C[Si](C)(OCCCCCCCCCCCCCC)OC(CC)CCCC.
What is the InChIKey of ethenyl-heptan-3-yloxy-methyl-tetradecoxysilane?
The InChIKey is IQHFPJABJYZVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H50O2Si/c1-6-10-12-13-14-15-16-17-18-19-20-21-23-25-27(5,9-4)26-24(8-3)22-11-7-2/h9,24H,4,6-8,10-23H2,1-3,5H3.
What are the key properties of ethenyl-heptan-3-yloxy-methyl-tetradecoxysilane?
ethenyl-heptan-3-yloxy-methyl-tetradecoxysilane has a molecular weight of 398.75 g/mol, XLogP of 8.49, 21 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-heptan-3-yloxy-methyl-tetradecoxysilane is sourced from PubChem (CID 91743295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).