(5Z)-5-(8-hydroxyoct-1-en-4-ylidene)-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one

C17H26O3 — CID 10265575

IUPAC(5Z)-5-(8-hydroxyoct-1-en-4-ylidene)-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one
SMILESC=CC/C(CCCCO)=C1\C(=O)C(C)=C(C)C1(C)OC
InChIInChI=1S/C17H26O3/c1-6-9-14(10-7-8-11-18)15-16(19)12(2)13(3)17(15,4)20-5/h6,18H,1,7-11H2,2-5H3/b15-14-
InChIKeyBYKDPPQUDKMQES-PFONDFGASA-N
MW278.39 g/mol
LogP3.35
Rot. Bonds7

About (5Z)-5-(8-hydroxyoct-1-en-4-ylidene)-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one

(5Z)-5-(8-hydroxyoct-1-en-4-ylidene)-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one (PubChem CID 10265575) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is (5Z)-5-(8-hydroxyoct-1-en-4-ylidene)-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(5Z)-5-(8-hydroxyoct-1-en-4-ylidene)-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one
PubChem CID10265575
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Name(5Z)-5-(8-hydroxyoct-1-en-4-ylidene)-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one
SMILESC=CC/C(CCCCO)=C1\C(=O)C(C)=C(C)C1(C)OC
InChIInChI=1S/C17H26O3/c1-6-9-14(10-7-8-11-18)15-16(19)12(2)13(3)17(15,4)20-5/h6,18H,1,7-11H2,2-5H3/b15-14-
InChIKeyBYKDPPQUDKMQES-PFONDFGASA-N
XLogP3.35
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5Z)-5-(8-hydroxyoct-1-en-4-ylidene)-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one with MolForge

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Related Compounds

(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-[(E)-1-hydroxynon-2-en-5-ylidene]-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one
CID 10017223
[(Z)-[3-(4-hydroxybutyl)-2-methoxy-2,4-dimethyl-5-oxocyclopent-3-en-1-ylidene]methyl]mercury
CID 10052909
3-(4-Hydroxybutyl)-4-methoxy-2,4-dimethyl-5-methylidenecyclopent-2-en-1-one
CID 10384211
(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-[(E)-but-2-en-2-yl]-2,3-bis(methoxymethyl)cyclopent-2-en-1-one
CID 11264579
(7S,8E)-7-hydroxy-10-methoxy-4,8,11-trimethyldodeca-8,11-dien-5-one
CID 143483487

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(8-hydroxyoct-1-en-4-ylidene)-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one?
The IUPAC name of (5Z)-5-(8-hydroxyoct-1-en-4-ylidene)-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one (CID 10265575) is (5Z)-5-(8-hydroxyoct-1-en-4-ylidene)-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one.
What is the SMILES notation for (5Z)-5-(8-hydroxyoct-1-en-4-ylidene)-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one?
The canonical SMILES for (5Z)-5-(8-hydroxyoct-1-en-4-ylidene)-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one is C=CC/C(CCCCO)=C1\C(=O)C(C)=C(C)C1(C)OC.
What is the InChIKey of (5Z)-5-(8-hydroxyoct-1-en-4-ylidene)-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one?
The InChIKey is BYKDPPQUDKMQES-PFONDFGASA-N. The full InChI is InChI=1S/C17H26O3/c1-6-9-14(10-7-8-11-18)15-16(19)12(2)13(3)17(15,4)20-5/h6,18H,1,7-11H2,2-5H3/b15-14-.
What are the key properties of (5Z)-5-(8-hydroxyoct-1-en-4-ylidene)-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one?
(5Z)-5-(8-hydroxyoct-1-en-4-ylidene)-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one has a molecular weight of 278.39 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(8-hydroxyoct-1-en-4-ylidene)-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one is sourced from PubChem (CID 10265575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).