8-methoxy-3-methyl-5-methylidenenona-6,8-dien-2-one

C12H18O2 — CID 91443099

IUPAC8-methoxy-3-methyl-5-methylidenenona-6,8-dien-2-one
SMILESC=C(C=CC(=C)OC)CC(C)C(C)=O
InChIInChI=1S/C12H18O2/c1-9(6-7-11(3)14-5)8-10(2)12(4)13/h6-7,10H,1,3,8H2,2,4-5H3
InChIKeyFWUBAJKGOAHLOF-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.87
Rot. Bonds6

About 8-methoxy-3-methyl-5-methylidenenona-6,8-dien-2-one

8-methoxy-3-methyl-5-methylidenenona-6,8-dien-2-one (PubChem CID 91443099) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 8-methoxy-3-methyl-5-methylidenenona-6,8-dien-2-one.

Molecular Properties

Compound Name8-methoxy-3-methyl-5-methylidenenona-6,8-dien-2-one
PubChem CID91443099
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name8-methoxy-3-methyl-5-methylidenenona-6,8-dien-2-one
SMILESC=C(C=CC(=C)OC)CC(C)C(C)=O
InChIInChI=1S/C12H18O2/c1-9(6-7-11(3)14-5)8-10(2)12(4)13/h6-7,10H,1,3,8H2,2,4-5H3
InChIKeyFWUBAJKGOAHLOF-UHFFFAOYSA-N
XLogP2.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 8-methoxy-3-methyl-5-methylidenenona-6,8-dien-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5,6-Difluoro-4-methoxycyclohexa-2,4-dien-1-yl)propan-1-one
CID 70905304
(7Z)-5-methyl-6-methylidene-9-(trifluoromethoxy)deca-7,9-dien-2-one
CID 142284492
(3S,8aS)-6-methoxy-3,8a-dimethyl-2,3-dihydroazulen-1-one
CID 11127386
1-(4-Methoxycyclohexa-2,4-dien-1-yl)propan-2-one
CID 12596370
Cyclohexa-2,4-dien-1-yl-(4-methoxycyclohexa-2,4-dien-1-yl)methanone
CID 22421302
4-(5-methyl-2H-pyran-2-yl)pentan-2-one
CID 22899288
Cyclohex-2-en-1-yl-(4-methoxycyclohexa-2,4-dien-1-yl)methanone
CID 57138830
8-Methoxy-3,7-dimethyloct-6-en-2-one
CID 85965227
1-(4-Methoxy-1,6-dimethylcyclohexa-2,4-dien-1-yl)ethanone
CID 89073498
3-[(3E,5E,7E,9E,11E,14E,16Z,18E)-12-ethyl-11-methoxy-6,16-dimethylcycloicosa-3,5,7,9,11,14,16,18-octaen-1-yl]propanal
CID 89368771
3-[(4-Ethoxycyclohexa-2,4-dien-1-yl)methyl]pentan-2-one
CID 90689919
1-[4-[(2-Methylpropan-2-yl)oxy]cyclohexa-2,4-dien-1-yl]propan-2-one
CID 91141954

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-methyl-5-methylidenenona-6,8-dien-2-one?
The IUPAC name of 8-methoxy-3-methyl-5-methylidenenona-6,8-dien-2-one (CID 91443099) is 8-methoxy-3-methyl-5-methylidenenona-6,8-dien-2-one.
What is the SMILES notation for 8-methoxy-3-methyl-5-methylidenenona-6,8-dien-2-one?
The canonical SMILES for 8-methoxy-3-methyl-5-methylidenenona-6,8-dien-2-one is C=C(C=CC(=C)OC)CC(C)C(C)=O.
What is the InChIKey of 8-methoxy-3-methyl-5-methylidenenona-6,8-dien-2-one?
The InChIKey is FWUBAJKGOAHLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-9(6-7-11(3)14-5)8-10(2)12(4)13/h6-7,10H,1,3,8H2,2,4-5H3.
What are the key properties of 8-methoxy-3-methyl-5-methylidenenona-6,8-dien-2-one?
8-methoxy-3-methyl-5-methylidenenona-6,8-dien-2-one has a molecular weight of 194.27 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-methyl-5-methylidenenona-6,8-dien-2-one is sourced from PubChem (CID 91443099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).