(5Z)-4-methoxy-4-methyl-5-oct-1-en-4-ylidenecyclopent-2-en-1-one

C15H22O2 — CID 10243132

IUPAC(5Z)-4-methoxy-4-methyl-5-oct-1-en-4-ylidenecyclopent-2-en-1-one
SMILESC=CC/C(CCCC)=C1\C(=O)C=CC1(C)OC
InChIInChI=1S/C15H22O2/c1-5-7-9-12(8-6-2)14-13(16)10-11-15(14,3)17-4/h6,10-11H,2,5,7-9H2,1,3-4H3/b14-12-
InChIKeyNKKLOWIQRNILID-OWBHPGMISA-N
MW234.34 g/mol
LogP3.59
Rot. Bonds6

About (5Z)-4-methoxy-4-methyl-5-oct-1-en-4-ylidenecyclopent-2-en-1-one

(5Z)-4-methoxy-4-methyl-5-oct-1-en-4-ylidenecyclopent-2-en-1-one (PubChem CID 10243132) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is (5Z)-4-methoxy-4-methyl-5-oct-1-en-4-ylidenecyclopent-2-en-1-one.

Molecular Properties

Compound Name(5Z)-4-methoxy-4-methyl-5-oct-1-en-4-ylidenecyclopent-2-en-1-one
PubChem CID10243132
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name(5Z)-4-methoxy-4-methyl-5-oct-1-en-4-ylidenecyclopent-2-en-1-one
SMILESC=CC/C(CCCC)=C1\C(=O)C=CC1(C)OC
InChIInChI=1S/C15H22O2/c1-5-7-9-12(8-6-2)14-13(16)10-11-15(14,3)17-4/h6,10-11H,2,5,7-9H2,1,3-4H3/b14-12-
InChIKeyNKKLOWIQRNILID-OWBHPGMISA-N
XLogP3.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.59
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'}

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Related Compounds

2-[(2E,6E,9E,11R)-11-methoxy-3,7,11,15-tetramethylhexadeca-2,6,9,14-tetraenyl]-6-methylcyclohexa-2,5-diene-1,4-dione
CID 162968731
1-(1-Oxaspiro[4.5]dec-3-en-3-yl)ethanone
CID 12166420
4-Butyl-4-methoxy-2,3-dimethylcyclohexa-2,5-dien-1-one
CID 134875004
4-Butyl-4-methoxy-2-methylcyclohexa-2,5-dien-1-one
CID 134893641
4-Butyl-4-methoxy-3-methylcyclohexa-2,5-dien-1-one
CID 134893785
(5Z)-4-methoxy-2,3,4-trimethyl-5-oct-1-en-4-ylidenecyclopent-2-en-1-one
CID 9992899
(5Z)-5-(1-bromopentylidene)-4-methoxy-4-methylcyclopent-2-en-1-one
CID 9993429
(5Z)-5-(bromomethylidene)-4-methoxy-4-methylcyclopent-2-en-1-one
CID 10104759
(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
chloro-[(Z)-(2-methoxy-2-methyl-5-oxocyclopent-3-en-1-ylidene)methyl]mercury
CID 10474469

Frequently Asked Questions

What is the IUPAC name of (5Z)-4-methoxy-4-methyl-5-oct-1-en-4-ylidenecyclopent-2-en-1-one?
The IUPAC name of (5Z)-4-methoxy-4-methyl-5-oct-1-en-4-ylidenecyclopent-2-en-1-one (CID 10243132) is (5Z)-4-methoxy-4-methyl-5-oct-1-en-4-ylidenecyclopent-2-en-1-one.
What is the SMILES notation for (5Z)-4-methoxy-4-methyl-5-oct-1-en-4-ylidenecyclopent-2-en-1-one?
The canonical SMILES for (5Z)-4-methoxy-4-methyl-5-oct-1-en-4-ylidenecyclopent-2-en-1-one is C=CC/C(CCCC)=C1\C(=O)C=CC1(C)OC.
What is the InChIKey of (5Z)-4-methoxy-4-methyl-5-oct-1-en-4-ylidenecyclopent-2-en-1-one?
The InChIKey is NKKLOWIQRNILID-OWBHPGMISA-N. The full InChI is InChI=1S/C15H22O2/c1-5-7-9-12(8-6-2)14-13(16)10-11-15(14,3)17-4/h6,10-11H,2,5,7-9H2,1,3-4H3/b14-12-.
What are the key properties of (5Z)-4-methoxy-4-methyl-5-oct-1-en-4-ylidenecyclopent-2-en-1-one?
(5Z)-4-methoxy-4-methyl-5-oct-1-en-4-ylidenecyclopent-2-en-1-one has a molecular weight of 234.34 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-methoxy-4-methyl-5-oct-1-en-4-ylidenecyclopent-2-en-1-one is sourced from PubChem (CID 10243132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).