benzyl 3-cyclopentylpropanoate

C15H20O2 — CID 561111

IUPACbenzyl 3-cyclopentylpropanoate
SMILESO=C(CCC1CCCC1)OCc1ccccc1
InChIInChI=1S/C15H20O2/c16-15(11-10-13-6-4-5-7-13)17-12-14-8-2-1-3-9-14/h1-3,8-9,13H,4-7,10-12H2
InChIKeyAUAIXUMALDYTOR-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.70
Rot. Bonds5

About benzyl 3-cyclopentylpropanoate

benzyl 3-cyclopentylpropanoate (PubChem CID 561111) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is benzyl 3-cyclopentylpropanoate.

Molecular Properties

Compound Namebenzyl 3-cyclopentylpropanoate
PubChem CID561111
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Namebenzyl 3-cyclopentylpropanoate
SMILESO=C(CCC1CCCC1)OCc1ccccc1
InChIInChI=1S/C15H20O2/c16-15(11-10-13-6-4-5-7-13)17-12-14-8-2-1-3-9-14/h1-3,8-9,13H,4-7,10-12H2
InChIKeyAUAIXUMALDYTOR-UHFFFAOYSA-N
XLogP3.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzyl 3-cyclopentylpropanoate?
The IUPAC name of benzyl 3-cyclopentylpropanoate (CID 561111) is benzyl 3-cyclopentylpropanoate.
What is the SMILES notation for benzyl 3-cyclopentylpropanoate?
The canonical SMILES for benzyl 3-cyclopentylpropanoate is O=C(CCC1CCCC1)OCc1ccccc1.
What is the InChIKey of benzyl 3-cyclopentylpropanoate?
The InChIKey is AUAIXUMALDYTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c16-15(11-10-13-6-4-5-7-13)17-12-14-8-2-1-3-9-14/h1-3,8-9,13H,4-7,10-12H2.
What are the key properties of benzyl 3-cyclopentylpropanoate?
benzyl 3-cyclopentylpropanoate has a molecular weight of 232.32 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-cyclopentylpropanoate is sourced from PubChem (CID 561111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).