ethenyl-heptadecoxy-heptan-3-yloxy-methylsilane

C27H56O2Si — CID 91744420

IUPACethenyl-heptadecoxy-heptan-3-yloxy-methylsilane
SMILESC=C[Si](C)(OCCCCCCCCCCCCCCCCC)OC(CC)CCCC
InChIInChI=1S/C27H56O2Si/c1-6-10-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30(5,9-4)29-27(8-3)25-11-7-2/h9,27H,4,6-8,10-26H2,1-3,5H3
InChIKeyFDXAREOJXPPRIC-UHFFFAOYSA-N
MW440.83 g/mol
LogP9.66
Rot. Bonds24

About ethenyl-heptadecoxy-heptan-3-yloxy-methylsilane

ethenyl-heptadecoxy-heptan-3-yloxy-methylsilane (PubChem CID 91744420) has the molecular formula C27H56O2Si and a molecular weight of 440.83 g/mol. Its IUPAC name is ethenyl-heptadecoxy-heptan-3-yloxy-methylsilane.

Molecular Properties

Compound Nameethenyl-heptadecoxy-heptan-3-yloxy-methylsilane
PubChem CID91744420
Molecular FormulaC27H56O2Si
Molecular Weight440.83 g/mol
Exact Mass440.40
IUPAC Nameethenyl-heptadecoxy-heptan-3-yloxy-methylsilane
SMILESC=C[Si](C)(OCCCCCCCCCCCCCCCCC)OC(CC)CCCC
InChIInChI=1S/C27H56O2Si/c1-6-10-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30(5,9-4)29-27(8-3)25-11-7-2/h9,27H,4,6-8,10-26H2,1-3,5H3
InChIKeyFDXAREOJXPPRIC-UHFFFAOYSA-N
XLogP9.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.83
LogP ≤ 59.66
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-heptan-3-yloxy-methyl-tetradecoxysilane
CID 91743295
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-undecoxysilane
CID 91744966
ethenyl-heptoxy-hexadecoxy-methylsilane
CID 91744965
dodecoxy-ethenyl-methyl-pentadecoxysilane
CID 91745623
decoxy-ethenyl-methyl-nonoxysilane
CID 91743696
ethenyl-heptoxy-methyl-tridecoxysilane
CID 91744074
ethenyl-heptoxy-methyl-tetradecoxysilane
CID 91744411

Frequently Asked Questions

What is the IUPAC name of ethenyl-heptadecoxy-heptan-3-yloxy-methylsilane?
The IUPAC name of ethenyl-heptadecoxy-heptan-3-yloxy-methylsilane (CID 91744420) is ethenyl-heptadecoxy-heptan-3-yloxy-methylsilane.
What is the SMILES notation for ethenyl-heptadecoxy-heptan-3-yloxy-methylsilane?
The canonical SMILES for ethenyl-heptadecoxy-heptan-3-yloxy-methylsilane is C=C[Si](C)(OCCCCCCCCCCCCCCCCC)OC(CC)CCCC.
What is the InChIKey of ethenyl-heptadecoxy-heptan-3-yloxy-methylsilane?
The InChIKey is FDXAREOJXPPRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H56O2Si/c1-6-10-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30(5,9-4)29-27(8-3)25-11-7-2/h9,27H,4,6-8,10-26H2,1-3,5H3.
What are the key properties of ethenyl-heptadecoxy-heptan-3-yloxy-methylsilane?
ethenyl-heptadecoxy-heptan-3-yloxy-methylsilane has a molecular weight of 440.83 g/mol, XLogP of 9.66, 24 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-heptadecoxy-heptan-3-yloxy-methylsilane is sourced from PubChem (CID 91744420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).