2-cyclopentylpropyl formate

C9H16O2 — CID 89150762

IUPAC2-cyclopentylpropyl formate
SMILESCC(COC=O)C1CCCC1
InChIInChI=1S/C9H16O2/c1-8(6-11-7-10)9-4-2-3-5-9/h7-9H,2-6H2,1H3
InChIKeySOFSCRRIYFAPOG-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.99
Rot. Bonds4

About 2-cyclopentylpropyl formate

2-cyclopentylpropyl formate (PubChem CID 89150762) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 2-cyclopentylpropyl formate.

Molecular Properties

Compound Name2-cyclopentylpropyl formate
PubChem CID89150762
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name2-cyclopentylpropyl formate
SMILESCC(COC=O)C1CCCC1
InChIInChI=1S/C9H16O2/c1-8(6-11-7-10)9-4-2-3-5-9/h7-9H,2-6H2,1H3
InChIKeySOFSCRRIYFAPOG-UHFFFAOYSA-N
XLogP1.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylpropyl formate?
The IUPAC name of 2-cyclopentylpropyl formate (CID 89150762) is 2-cyclopentylpropyl formate.
What is the SMILES notation for 2-cyclopentylpropyl formate?
The canonical SMILES for 2-cyclopentylpropyl formate is CC(COC=O)C1CCCC1.
What is the InChIKey of 2-cyclopentylpropyl formate?
The InChIKey is SOFSCRRIYFAPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-8(6-11-7-10)9-4-2-3-5-9/h7-9H,2-6H2,1H3.
What are the key properties of 2-cyclopentylpropyl formate?
2-cyclopentylpropyl formate has a molecular weight of 156.22 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylpropyl formate is sourced from PubChem (CID 89150762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).