[2-(cyclohex-3-en-1-ylmethylidene)cyclopentyl] acetate

C14H20O2 — CID 150414160

IUPAC[2-(cyclohex-3-en-1-ylmethylidene)cyclopentyl] acetate
SMILESCC(=O)OC1CCCC1=CC1CC=CCC1
InChIInChI=1S/C14H20O2/c1-11(15)16-14-9-5-8-13(14)10-12-6-3-2-4-7-12/h2-3,10,12,14H,4-9H2,1H3
InChIKeyHGKLDPHZLQERPG-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.38
Rot. Bonds2

About [2-(cyclohex-3-en-1-ylmethylidene)cyclopentyl] acetate

[2-(cyclohex-3-en-1-ylmethylidene)cyclopentyl] acetate (PubChem CID 150414160) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is [2-(cyclohex-3-en-1-ylmethylidene)cyclopentyl] acetate.

Molecular Properties

Compound Name[2-(cyclohex-3-en-1-ylmethylidene)cyclopentyl] acetate
PubChem CID150414160
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name[2-(cyclohex-3-en-1-ylmethylidene)cyclopentyl] acetate
SMILESCC(=O)OC1CCCC1=CC1CC=CCC1
InChIInChI=1S/C14H20O2/c1-11(15)16-14-9-5-8-13(14)10-12-6-3-2-4-7-12/h2-3,10,12,14H,4-9H2,1H3
InChIKeyHGKLDPHZLQERPG-UHFFFAOYSA-N
XLogP3.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclohex-3-en-1-ylmethylidene)cyclopentyl] acetate?
The IUPAC name of [2-(cyclohex-3-en-1-ylmethylidene)cyclopentyl] acetate (CID 150414160) is [2-(cyclohex-3-en-1-ylmethylidene)cyclopentyl] acetate.
What is the SMILES notation for [2-(cyclohex-3-en-1-ylmethylidene)cyclopentyl] acetate?
The canonical SMILES for [2-(cyclohex-3-en-1-ylmethylidene)cyclopentyl] acetate is CC(=O)OC1CCCC1=CC1CC=CCC1.
What is the InChIKey of [2-(cyclohex-3-en-1-ylmethylidene)cyclopentyl] acetate?
The InChIKey is HGKLDPHZLQERPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-11(15)16-14-9-5-8-13(14)10-12-6-3-2-4-7-12/h2-3,10,12,14H,4-9H2,1H3.
What are the key properties of [2-(cyclohex-3-en-1-ylmethylidene)cyclopentyl] acetate?
[2-(cyclohex-3-en-1-ylmethylidene)cyclopentyl] acetate has a molecular weight of 220.31 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohex-3-en-1-ylmethylidene)cyclopentyl] acetate is sourced from PubChem (CID 150414160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).