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

C16H24O2 — CID 10444716

IUPAC(5Z)-5-hept-1-en-4-ylidene-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one
SMILESC=CC/C(CCC)=C1\C(=O)C(C)=C(C)C1(C)OC
InChIInChI=1S/C16H24O2/c1-7-9-13(10-8-2)14-15(17)11(3)12(4)16(14,5)18-6/h7H,1,8-10H2,2-6H3/b14-13-
InChIKeyKMRHCCLDMATOBQ-YPKPFQOOSA-N
MW248.37 g/mol
LogP3.98
Rot. Bonds5

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

(5Z)-5-hept-1-en-4-ylidene-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one (PubChem CID 10444716) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is (5Z)-5-hept-1-en-4-ylidene-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(5Z)-5-hept-1-en-4-ylidene-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one
PubChem CID10444716
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name(5Z)-5-hept-1-en-4-ylidene-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one
SMILESC=CC/C(CCC)=C1\C(=O)C(C)=C(C)C1(C)OC
InChIInChI=1S/C16H24O2/c1-7-9-13(10-8-2)14-15(17)11(3)12(4)16(14,5)18-6/h7H,1,8-10H2,2-6H3/b14-13-
InChIKeyKMRHCCLDMATOBQ-YPKPFQOOSA-N
XLogP3.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

(2Z,6S,7E,9R,12E)-9-methoxy-3,9,13-trimethyl-6-propan-2-ylcyclotetradeca-2,7,12-trien-1-one
CID 10710714
chloro-[(1Z)-1-(2-methoxy-2,3,4-trimethyl-5-oxocyclopent-3-en-1-ylidene)pentyl]mercury
CID 9981511
(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-but-3-enylidene-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one
CID 11820303
4-[(2-methylpropan-2-yl)oxy]-2-[(Z)-non-2-enyl]cyclopent-2-en-1-one
CID 59966360
(2E,6E,10S,11Z,13R)-13-methoxy-3,7,13-trimethyl-10-propan-2-ylcyclotetradeca-2,6,11-trien-1-one
CID 71727207
4-[(2-Methylpropan-2-yl)oxy]-2-non-2-enylcyclopent-2-en-1-one
CID 72609013
(E)-5-methoxy-4,5-dimethylnon-3-en-2-one
CID 87291400
(2E,6E,11Z,13R)-13-methoxy-3,7,13-trimethyl-10-propan-2-ylcyclotetradeca-2,6,11-trien-1-one
CID 89658915
5-Methoxy-4,5-dimethylnon-3-en-2-one
CID 91167196

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-hept-1-en-4-ylidene-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one?
The IUPAC name of (5Z)-5-hept-1-en-4-ylidene-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one (CID 10444716) is (5Z)-5-hept-1-en-4-ylidene-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one.
What is the SMILES notation for (5Z)-5-hept-1-en-4-ylidene-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one?
The canonical SMILES for (5Z)-5-hept-1-en-4-ylidene-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one is C=CC/C(CCC)=C1\C(=O)C(C)=C(C)C1(C)OC.
What is the InChIKey of (5Z)-5-hept-1-en-4-ylidene-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one?
The InChIKey is KMRHCCLDMATOBQ-YPKPFQOOSA-N. The full InChI is InChI=1S/C16H24O2/c1-7-9-13(10-8-2)14-15(17)11(3)12(4)16(14,5)18-6/h7H,1,8-10H2,2-6H3/b14-13-.
What are the key properties of (5Z)-5-hept-1-en-4-ylidene-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one?
(5Z)-5-hept-1-en-4-ylidene-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one has a molecular weight of 248.37 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-hept-1-en-4-ylidene-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one is sourced from PubChem (CID 10444716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).