3-silylpropyl butanoate

C7H16O2Si — CID 154457340

IUPAC3-silylpropyl butanoate
SMILESCCCC(=O)OCCC[SiH3]
InChIInChI=1S/C7H16O2Si/c1-2-4-7(8)9-5-3-6-10/h2-6H2,1,10H3
InChIKeySDCQLLIBFJSYQI-UHFFFAOYSA-N
MW160.29 g/mol
LogP0.50
Rot. Bonds5

About 3-silylpropyl butanoate

3-silylpropyl butanoate (PubChem CID 154457340) has the molecular formula C7H16O2Si and a molecular weight of 160.29 g/mol. Its IUPAC name is 3-silylpropyl butanoate.

Molecular Properties

Compound Name3-silylpropyl butanoate
PubChem CID154457340
Molecular FormulaC7H16O2Si
Molecular Weight160.29 g/mol
Exact Mass160.09
IUPAC Name3-silylpropyl butanoate
SMILESCCCC(=O)OCCC[SiH3]
InChIInChI=1S/C7H16O2Si/c1-2-4-7(8)9-5-3-6-10/h2-6H2,1,10H3
InChIKeySDCQLLIBFJSYQI-UHFFFAOYSA-N
XLogP0.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.29
LogP ≤ 50.50
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

pentyl butanoate
CID 10890
pentadecyl butanoate
CID 560582
CID 161369205
CID 161369205
2-butanoyloxyethyl butanoate;methane
CID 161018761
butanoyl 4-butanoyloxybutanoate
CID 88605153
butane;dodecyl butanoate
CID 91569021
6-aminohexyl butanoate
CID 15683407
5-butanoyloxypentanoic acid
CID 54166172
4-butanoyloxybutyl heptanoate
CID 176849500
methane;propyl butanoate
CID 157187060
butyl butanoate;hexanedioic acid
CID 175231996
5-oxopentyl butanoate
CID 54119042

Frequently Asked Questions

What is the IUPAC name of 3-silylpropyl butanoate?
The IUPAC name of 3-silylpropyl butanoate (CID 154457340) is 3-silylpropyl butanoate.
What is the SMILES notation for 3-silylpropyl butanoate?
The canonical SMILES for 3-silylpropyl butanoate is CCCC(=O)OCCC[SiH3].
What is the InChIKey of 3-silylpropyl butanoate?
The InChIKey is SDCQLLIBFJSYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2Si/c1-2-4-7(8)9-5-3-6-10/h2-6H2,1,10H3.
What are the key properties of 3-silylpropyl butanoate?
3-silylpropyl butanoate has a molecular weight of 160.29 g/mol, XLogP of 0.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-silylpropyl butanoate is sourced from PubChem (CID 154457340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).