4-hydroxy-3-prop-1-enyl-2-propylcyclopentan-1-one

C11H18O2 — CID 123397722

IUPAC4-hydroxy-3-prop-1-enyl-2-propylcyclopentan-1-one
SMILESCC=CC1C(O)CC(=O)C1CCC
InChIInChI=1S/C11H18O2/c1-3-5-8-9(6-4-2)11(13)7-10(8)12/h3,5,8-10,12H,4,6-7H2,1-2H3
InChIKeySBZCTLSXEHRHHN-UHFFFAOYSA-N
MW182.26 g/mol
LogP1.93
Rot. Bonds3

About 4-hydroxy-3-prop-1-enyl-2-propylcyclopentan-1-one

4-hydroxy-3-prop-1-enyl-2-propylcyclopentan-1-one (PubChem CID 123397722) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 4-hydroxy-3-prop-1-enyl-2-propylcyclopentan-1-one.

Molecular Properties

Compound Name4-hydroxy-3-prop-1-enyl-2-propylcyclopentan-1-one
PubChem CID123397722
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name4-hydroxy-3-prop-1-enyl-2-propylcyclopentan-1-one
SMILESCC=CC1C(O)CC(=O)C1CCC
InChIInChI=1S/C11H18O2/c1-3-5-8-9(6-4-2)11(13)7-10(8)12/h3,5,8-10,12H,4,6-7H2,1-2H3
InChIKeySBZCTLSXEHRHHN-UHFFFAOYSA-N
XLogP1.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
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 4-hydroxy-3-prop-1-enyl-2-propylcyclopentan-1-one?
The IUPAC name of 4-hydroxy-3-prop-1-enyl-2-propylcyclopentan-1-one (CID 123397722) is 4-hydroxy-3-prop-1-enyl-2-propylcyclopentan-1-one.
What is the SMILES notation for 4-hydroxy-3-prop-1-enyl-2-propylcyclopentan-1-one?
The canonical SMILES for 4-hydroxy-3-prop-1-enyl-2-propylcyclopentan-1-one is CC=CC1C(O)CC(=O)C1CCC.
What is the InChIKey of 4-hydroxy-3-prop-1-enyl-2-propylcyclopentan-1-one?
The InChIKey is SBZCTLSXEHRHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-5-8-9(6-4-2)11(13)7-10(8)12/h3,5,8-10,12H,4,6-7H2,1-2H3.
What are the key properties of 4-hydroxy-3-prop-1-enyl-2-propylcyclopentan-1-one?
4-hydroxy-3-prop-1-enyl-2-propylcyclopentan-1-one has a molecular weight of 182.26 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-prop-1-enyl-2-propylcyclopentan-1-one is sourced from PubChem (CID 123397722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).