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

C21H34O2 — CID 10403621

IUPAC(5Z)-5-dodec-1-en-4-ylidene-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one
SMILESC=CC/C(CCCCCCCC)=C1\C(=O)C(C)=C(C)C1(C)OC
InChIInChI=1S/C21H34O2/c1-7-9-10-11-12-13-15-18(14-8-2)19-20(22)16(3)17(4)21(19,5)23-6/h8H,2,7,9-15H2,1,3-6H3/b19-18-
InChIKeyKGNHWJAFRCDBSG-HNENSFHCSA-N
MW318.50 g/mol
LogP5.93
Rot. Bonds10

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

(5Z)-5-dodec-1-en-4-ylidene-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one (PubChem CID 10403621) has the molecular formula C21H34O2 and a molecular weight of 318.50 g/mol. Its IUPAC name is (5Z)-5-dodec-1-en-4-ylidene-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(5Z)-5-dodec-1-en-4-ylidene-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one
PubChem CID10403621
Molecular FormulaC21H34O2
Molecular Weight318.50 g/mol
Exact Mass318.26
IUPAC Name(5Z)-5-dodec-1-en-4-ylidene-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one
SMILESC=CC/C(CCCCCCCC)=C1\C(=O)C(C)=C(C)C1(C)OC
InChIInChI=1S/C21H34O2/c1-7-9-10-11-12-13-15-18(14-8-2)19-20(22)16(3)17(4)21(19,5)23-6/h8H,2,7,9-15H2,1,3-6H3/b19-18-
InChIKeyKGNHWJAFRCDBSG-HNENSFHCSA-N
XLogP5.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.50
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

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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-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
(2E,6E,10S,11Z,13R)-13-methoxy-3,7,13-trimethyl-10-propan-2-ylcyclotetradeca-2,6,11-trien-1-one
CID 71727207
(2E,6E,11Z,13R)-13-methoxy-3,7,13-trimethyl-10-propan-2-ylcyclotetradeca-2,6,11-trien-1-one
CID 89658915
(10S,13R)-13-methoxy-3,7,13-trimethyl-10-propan-2-ylcyclotetradeca-2,6,11-trien-1-one
CID 123179475
(E)-1-(3,6-dimethoxy-2,4,5-trimethylcyclohexa-1,4-dien-1-yl)-3,7,11,15-tetramethylhexadec-2-en-1-one
CID 157220632
3-Butyl-4-methoxy-4-methyl-5-methylidenecyclopent-2-en-1-one
CID 9997053
(5Z)-5-[(E)-1-hydroxynon-2-en-5-ylidene]-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one
CID 10017223

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-dodec-1-en-4-ylidene-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one?
The IUPAC name of (5Z)-5-dodec-1-en-4-ylidene-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one (CID 10403621) is (5Z)-5-dodec-1-en-4-ylidene-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one.
What is the SMILES notation for (5Z)-5-dodec-1-en-4-ylidene-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one?
The canonical SMILES for (5Z)-5-dodec-1-en-4-ylidene-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one is C=CC/C(CCCCCCCC)=C1\C(=O)C(C)=C(C)C1(C)OC.
What is the InChIKey of (5Z)-5-dodec-1-en-4-ylidene-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one?
The InChIKey is KGNHWJAFRCDBSG-HNENSFHCSA-N. The full InChI is InChI=1S/C21H34O2/c1-7-9-10-11-12-13-15-18(14-8-2)19-20(22)16(3)17(4)21(19,5)23-6/h8H,2,7,9-15H2,1,3-6H3/b19-18-.
What are the key properties of (5Z)-5-dodec-1-en-4-ylidene-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one?
(5Z)-5-dodec-1-en-4-ylidene-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one has a molecular weight of 318.50 g/mol, XLogP of 5.93, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-dodec-1-en-4-ylidene-4-methoxy-2,3,4-trimethylcyclopent-2-en-1-one is sourced from PubChem (CID 10403621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).