3-ethenyl-2-(3-hydroxy-5-methylhex-4-enyl)cyclopentan-1-one

C14H22O2 — CID 135037405

IUPAC3-ethenyl-2-(3-hydroxy-5-methylhex-4-enyl)cyclopentan-1-one
SMILESC=CC1CCC(=O)C1CCC(O)C=C(C)C
InChIInChI=1S/C14H22O2/c1-4-11-5-8-14(16)13(11)7-6-12(15)9-10(2)3/h4,9,11-13,15H,1,5-8H2,2-3H3
InChIKeyLVYPDPJNDCPSCY-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.88
Rot. Bonds5

About 3-ethenyl-2-(3-hydroxy-5-methylhex-4-enyl)cyclopentan-1-one

3-ethenyl-2-(3-hydroxy-5-methylhex-4-enyl)cyclopentan-1-one (PubChem CID 135037405) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-ethenyl-2-(3-hydroxy-5-methylhex-4-enyl)cyclopentan-1-one.

Molecular Properties

Compound Name3-ethenyl-2-(3-hydroxy-5-methylhex-4-enyl)cyclopentan-1-one
PubChem CID135037405
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name3-ethenyl-2-(3-hydroxy-5-methylhex-4-enyl)cyclopentan-1-one
SMILESC=CC1CCC(=O)C1CCC(O)C=C(C)C
InChIInChI=1S/C14H22O2/c1-4-11-5-8-14(16)13(11)7-6-12(15)9-10(2)3/h4,9,11-13,15H,1,5-8H2,2-3H3
InChIKeyLVYPDPJNDCPSCY-UHFFFAOYSA-N
XLogP2.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.88
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 3-ethenyl-2-(3-hydroxy-5-methylhex-4-enyl)cyclopentan-1-one?
The IUPAC name of 3-ethenyl-2-(3-hydroxy-5-methylhex-4-enyl)cyclopentan-1-one (CID 135037405) is 3-ethenyl-2-(3-hydroxy-5-methylhex-4-enyl)cyclopentan-1-one.
What is the SMILES notation for 3-ethenyl-2-(3-hydroxy-5-methylhex-4-enyl)cyclopentan-1-one?
The canonical SMILES for 3-ethenyl-2-(3-hydroxy-5-methylhex-4-enyl)cyclopentan-1-one is C=CC1CCC(=O)C1CCC(O)C=C(C)C.
What is the InChIKey of 3-ethenyl-2-(3-hydroxy-5-methylhex-4-enyl)cyclopentan-1-one?
The InChIKey is LVYPDPJNDCPSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-4-11-5-8-14(16)13(11)7-6-12(15)9-10(2)3/h4,9,11-13,15H,1,5-8H2,2-3H3.
What are the key properties of 3-ethenyl-2-(3-hydroxy-5-methylhex-4-enyl)cyclopentan-1-one?
3-ethenyl-2-(3-hydroxy-5-methylhex-4-enyl)cyclopentan-1-one has a molecular weight of 222.33 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-2-(3-hydroxy-5-methylhex-4-enyl)cyclopentan-1-one is sourced from PubChem (CID 135037405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).