6-methoxy-4-[(4E)-6-(4-oxocyclohex-2-en-1-yl)hexa-1,4-dienyl]cyclohex-2-en-1-one

C19H24O3 — CID 123923796

IUPAC6-methoxy-4-[(4E)-6-(4-oxocyclohex-2-en-1-yl)hexa-1,4-dienyl]cyclohex-2-en-1-one
SMILESCOC1CC(C=CC/C=C/CC2C=CC(=O)CC2)C=CC1=O
InChIInChI=1S/C19H24O3/c1-22-19-14-16(10-13-18(19)21)7-5-3-2-4-6-15-8-11-17(20)12-9-15/h2,4-5,7-8,10-11,13,15-16,19H,3,6,9,12,14H2,1H3/b4-2+,7-5?
InChIKeyDWEKOBMFEKFBQS-SOCPGQNESA-N
MW300.40 g/mol
LogP3.57
Rot. Bonds6

About 6-methoxy-4-[(4E)-6-(4-oxocyclohex-2-en-1-yl)hexa-1,4-dienyl]cyclohex-2-en-1-one

6-methoxy-4-[(4E)-6-(4-oxocyclohex-2-en-1-yl)hexa-1,4-dienyl]cyclohex-2-en-1-one (PubChem CID 123923796) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is 6-methoxy-4-[(4E)-6-(4-oxocyclohex-2-en-1-yl)hexa-1,4-dienyl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name6-methoxy-4-[(4E)-6-(4-oxocyclohex-2-en-1-yl)hexa-1,4-dienyl]cyclohex-2-en-1-one
PubChem CID123923796
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Name6-methoxy-4-[(4E)-6-(4-oxocyclohex-2-en-1-yl)hexa-1,4-dienyl]cyclohex-2-en-1-one
SMILESCOC1CC(C=CC/C=C/CC2C=CC(=O)CC2)C=CC1=O
InChIInChI=1S/C19H24O3/c1-22-19-14-16(10-13-18(19)21)7-5-3-2-4-6-15-8-11-17(20)12-9-15/h2,4-5,7-8,10-11,13,15-16,19H,3,6,9,12,14H2,1H3/b4-2+,7-5?
InChIKeyDWEKOBMFEKFBQS-SOCPGQNESA-N
XLogP3.57
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-methoxy-4-[(4E)-6-(4-oxocyclohex-2-en-1-yl)hexa-1,4-dienyl]cyclohex-2-en-1-one with MolForge

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Related Compounds

3-methoxy-5-methyl-2-[(2R)-6-methylhept-5-en-2-yl]cyclohexa-2,5-diene-1,4-dione
CID 102204926
6-Methoxy-4-prop-2-enylcyclohex-2-en-1-one
CID 54415987
2-Methoxy-5-(2-methylbutyl)cyclohexa-2,5-diene-1,4-dione
CID 53440755
2,6-Dimethoxy-4-prop-2-enylcyclohex-2-en-1-one
CID 123709183
5-Methoxy-3-methyl-2-(6-methylhept-5-en-2-yl)cyclohexa-2,5-diene-1,4-dione
CID 164682608
6-Ethoxy-6-methyl-2-cyclohexenone
CID 537457
3-(1,5-Dimethyl-4-hexenyl)-2-methoxy-5-methylbenzo-1,4-quinone
CID 14355010
[(1S,6S)-6-methyl-2-oxocyclohex-3-en-1-yl] acetate
CID 130965023
(E)-8-ethyl-3,9-dimethoxy-2,4-dimethyldec-6-en-5-one
CID 20687575
(4R,5R,6S)-5-methoxy-4-methyl-6-[(E)-6-methylhept-2-en-2-yl]cyclohex-2-en-1-one
CID 60115108
2-Methoxypentan-3-one;3,5,5-trimethylcyclohex-2-en-1-one
CID 66912547
(E)-1-cyclohex-3-en-1-yl-5-methoxy-2-methylhept-2-en-1-one
CID 68213101

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-[(4E)-6-(4-oxocyclohex-2-en-1-yl)hexa-1,4-dienyl]cyclohex-2-en-1-one?
The IUPAC name of 6-methoxy-4-[(4E)-6-(4-oxocyclohex-2-en-1-yl)hexa-1,4-dienyl]cyclohex-2-en-1-one (CID 123923796) is 6-methoxy-4-[(4E)-6-(4-oxocyclohex-2-en-1-yl)hexa-1,4-dienyl]cyclohex-2-en-1-one.
What is the SMILES notation for 6-methoxy-4-[(4E)-6-(4-oxocyclohex-2-en-1-yl)hexa-1,4-dienyl]cyclohex-2-en-1-one?
The canonical SMILES for 6-methoxy-4-[(4E)-6-(4-oxocyclohex-2-en-1-yl)hexa-1,4-dienyl]cyclohex-2-en-1-one is COC1CC(C=CC/C=C/CC2C=CC(=O)CC2)C=CC1=O.
What is the InChIKey of 6-methoxy-4-[(4E)-6-(4-oxocyclohex-2-en-1-yl)hexa-1,4-dienyl]cyclohex-2-en-1-one?
The InChIKey is DWEKOBMFEKFBQS-SOCPGQNESA-N. The full InChI is InChI=1S/C19H24O3/c1-22-19-14-16(10-13-18(19)21)7-5-3-2-4-6-15-8-11-17(20)12-9-15/h2,4-5,7-8,10-11,13,15-16,19H,3,6,9,12,14H2,1H3/b4-2+,7-5?.
What are the key properties of 6-methoxy-4-[(4E)-6-(4-oxocyclohex-2-en-1-yl)hexa-1,4-dienyl]cyclohex-2-en-1-one?
6-methoxy-4-[(4E)-6-(4-oxocyclohex-2-en-1-yl)hexa-1,4-dienyl]cyclohex-2-en-1-one has a molecular weight of 300.40 g/mol, XLogP of 3.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-[(4E)-6-(4-oxocyclohex-2-en-1-yl)hexa-1,4-dienyl]cyclohex-2-en-1-one is sourced from PubChem (CID 123923796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).