2-cyclopentylethyl prop-2-ynoate

C10H14O2 — CID 154203049

IUPAC2-cyclopentylethyl prop-2-ynoate
SMILESC#CC(=O)OCCC1CCCC1
InChIInChI=1S/C10H14O2/c1-2-10(11)12-8-7-9-5-3-4-6-9/h1,9H,3-8H2
InChIKeyJAQFZWQDURTWFM-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.74
Rot. Bonds3

About 2-cyclopentylethyl prop-2-ynoate

2-cyclopentylethyl prop-2-ynoate (PubChem CID 154203049) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-cyclopentylethyl prop-2-ynoate.

Molecular Properties

Compound Name2-cyclopentylethyl prop-2-ynoate
PubChem CID154203049
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name2-cyclopentylethyl prop-2-ynoate
SMILESC#CC(=O)OCCC1CCCC1
InChIInChI=1S/C10H14O2/c1-2-10(11)12-8-7-9-5-3-4-6-9/h1,9H,3-8H2
InChIKeyJAQFZWQDURTWFM-UHFFFAOYSA-N
XLogP1.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_5', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-cyclopentylethyl prop-2-ynoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(2-cyclopentylethyl) propanedioate
CID 67140627
2-cyclohexylethyl carbonochloridate
CID 19994353
2-cyclohexylethyl 2-aminoacetate
CID 54016535
2-cyclopentylethyl methyl carbonate
CID 66771150
2-cyclohexylethyl 2-hydroxyacetate
CID 67340221
2-cyclopentylethyl butanoate
CID 142409115
2-cyclohexylethyl 2-iodopropanoate
CID 155660085
2-cyclobutylethyl 2-sulfanylacetate
CID 106208012
2-cyclohexylethyl nitrite
CID 125485427
2-cyclopropylethyl piperidine-1-carboxylate
CID 142778075
O-(2-cyclohexylethyl) ethanethioate
CID 101381755
but-3-ynyl N-(4-cyclononylbutyl)carbamate
CID 167157610

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylethyl prop-2-ynoate?
The IUPAC name of 2-cyclopentylethyl prop-2-ynoate (CID 154203049) is 2-cyclopentylethyl prop-2-ynoate.
What is the SMILES notation for 2-cyclopentylethyl prop-2-ynoate?
The canonical SMILES for 2-cyclopentylethyl prop-2-ynoate is C#CC(=O)OCCC1CCCC1.
What is the InChIKey of 2-cyclopentylethyl prop-2-ynoate?
The InChIKey is JAQFZWQDURTWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-2-10(11)12-8-7-9-5-3-4-6-9/h1,9H,3-8H2.
What are the key properties of 2-cyclopentylethyl prop-2-ynoate?
2-cyclopentylethyl prop-2-ynoate has a molecular weight of 166.22 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylethyl prop-2-ynoate is sourced from PubChem (CID 154203049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).