cyclohexyl pent-3-enoate

C11H18O2 — CID 54309585

IUPACcyclohexyl pent-3-enoate
SMILESCC=CCC(=O)OC1CCCCC1
InChIInChI=1S/C11H18O2/c1-2-3-9-11(12)13-10-7-5-4-6-8-10/h2-3,10H,4-9H2,1H3
InChIKeySJYROXINNJQCSO-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.83
Rot. Bonds3

About cyclohexyl pent-3-enoate

cyclohexyl pent-3-enoate (PubChem CID 54309585) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is cyclohexyl pent-3-enoate.

Molecular Properties

Compound Namecyclohexyl pent-3-enoate
PubChem CID54309585
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Namecyclohexyl pent-3-enoate
SMILESCC=CCC(=O)OC1CCCCC1
InChIInChI=1S/C11H18O2/c1-2-3-9-11(12)13-10-7-5-4-6-8-10/h2-3,10H,4-9H2,1H3
InChIKeySJYROXINNJQCSO-UHFFFAOYSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.83
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 cyclohexyl pent-3-enoate?
The IUPAC name of cyclohexyl pent-3-enoate (CID 54309585) is cyclohexyl pent-3-enoate.
What is the SMILES notation for cyclohexyl pent-3-enoate?
The canonical SMILES for cyclohexyl pent-3-enoate is CC=CCC(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl pent-3-enoate?
The InChIKey is SJYROXINNJQCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-2-3-9-11(12)13-10-7-5-4-6-8-10/h2-3,10H,4-9H2,1H3.
What are the key properties of cyclohexyl pent-3-enoate?
cyclohexyl pent-3-enoate has a molecular weight of 182.26 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl pent-3-enoate is sourced from PubChem (CID 54309585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).