(5Z)-5-[(E)-1-hydroxynon-2-en-5-ylidene]-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one

C18H28O3 — CID 10017223

IUPAC(5Z)-5-[(E)-1-hydroxynon-2-en-5-ylidene]-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one
SMILESCCCC/C(C/C=C/CO)=C1/C(=O)C(C)=C(C)C1(C)OC
InChIInChI=1S/C18H28O3/c1-6-7-10-15(11-8-9-12-19)16-17(20)13(2)14(3)18(16,4)21-5/h8-9,19H,6-7,10-12H2,1-5H3/b9-8+,16-15+
InChIKeyZUFOPTZSSKXTCI-IZCPETMFSA-N
MW292.42 g/mol
LogP3.74
Rot. Bonds7

About (5Z)-5-[(E)-1-hydroxynon-2-en-5-ylidene]-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one

(5Z)-5-[(E)-1-hydroxynon-2-en-5-ylidene]-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one (PubChem CID 10017223) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is (5Z)-5-[(E)-1-hydroxynon-2-en-5-ylidene]-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(5Z)-5-[(E)-1-hydroxynon-2-en-5-ylidene]-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one
PubChem CID10017223
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Name(5Z)-5-[(E)-1-hydroxynon-2-en-5-ylidene]-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one
SMILESCCCC/C(C/C=C/CO)=C1/C(=O)C(C)=C(C)C1(C)OC
InChIInChI=1S/C18H28O3/c1-6-7-10-15(11-8-9-12-19)16-17(20)13(2)14(3)18(16,4)21-5/h8-9,19H,6-7,10-12H2,1-5H3/b9-8+,16-15+
InChIKeyZUFOPTZSSKXTCI-IZCPETMFSA-N
XLogP3.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5Z)-5-[(E)-1-hydroxynon-2-en-5-ylidene]-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one 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

(4S,5S)-5-[(E,1S)-1-hydroxydec-2-enyl]-4-prop-1-en-2-ylcyclopent-2-en-1-one
CID 134951983
(5Z)-4-methoxy-2,3,4-trimethyl-5-oct-1-en-4-ylidenecyclopent-2-en-1-one
CID 9992899
(5Z)-4-methoxy-2,3,4-trimethyl-5-[(E)-non-2-en-5-ylidene]cyclopent-2-en-1-one
CID 10401246
(5Z)-5-dodec-1-en-4-ylidene-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one
CID 10403621
(5Z)-5-hept-1-en-4-ylidene-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one
CID 10444716
(5Z)-5-but-3-enylidene-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one
CID 11820303
(5Z)-5-(8-hydroxyoct-1-en-4-ylidene)-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one
CID 10265575
(5E)-5-but-3-enylidene-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one
CID 10398071
(5Z)-4-methoxy-2,3,4-trimethyl-5-[(E)-oct-6-en-4-ylidene]cyclopent-2-en-1-one
CID 10467893
5-(1-Hydroxypent-2-enyl)-3-methylcyclopent-2-en-1-one
CID 162292656

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(E)-1-hydroxynon-2-en-5-ylidene]-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one?
The IUPAC name of (5Z)-5-[(E)-1-hydroxynon-2-en-5-ylidene]-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one (CID 10017223) is (5Z)-5-[(E)-1-hydroxynon-2-en-5-ylidene]-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one.
What is the SMILES notation for (5Z)-5-[(E)-1-hydroxynon-2-en-5-ylidene]-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one?
The canonical SMILES for (5Z)-5-[(E)-1-hydroxynon-2-en-5-ylidene]-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one is CCCC/C(C/C=C/CO)=C1/C(=O)C(C)=C(C)C1(C)OC.
What is the InChIKey of (5Z)-5-[(E)-1-hydroxynon-2-en-5-ylidene]-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one?
The InChIKey is ZUFOPTZSSKXTCI-IZCPETMFSA-N. The full InChI is InChI=1S/C18H28O3/c1-6-7-10-15(11-8-9-12-19)16-17(20)13(2)14(3)18(16,4)21-5/h8-9,19H,6-7,10-12H2,1-5H3/b9-8+,16-15+.
What are the key properties of (5Z)-5-[(E)-1-hydroxynon-2-en-5-ylidene]-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one?
(5Z)-5-[(E)-1-hydroxynon-2-en-5-ylidene]-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one has a molecular weight of 292.42 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(E)-1-hydroxynon-2-en-5-ylidene]-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one is sourced from PubChem (CID 10017223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).