(Z)-7-(2,3-dimethylphenyl)-4-methyl-5-methylideneoct-6-en-2-one

C18H24O — CID 143733497

IUPAC(Z)-7-(2,3-dimethylphenyl)-4-methyl-5-methylideneoct-6-en-2-one
SMILESC=C(/C=C(/C)c1cccc(C)c1C)C(C)CC(C)=O
InChIInChI=1S/C18H24O/c1-12-8-7-9-18(17(12)6)15(4)10-13(2)14(3)11-16(5)19/h7-10,14H,2,11H2,1,3-6H3/b15-10-
InChIKeyRAYDTRACAGPVDC-GDNBJRDFSA-N
MW256.39 g/mol
LogP4.88
Rot. Bonds5

About (Z)-7-(2,3-dimethylphenyl)-4-methyl-5-methylideneoct-6-en-2-one

(Z)-7-(2,3-dimethylphenyl)-4-methyl-5-methylideneoct-6-en-2-one (PubChem CID 143733497) has the molecular formula C18H24O and a molecular weight of 256.39 g/mol. Its IUPAC name is (Z)-7-(2,3-dimethylphenyl)-4-methyl-5-methylideneoct-6-en-2-one.

Molecular Properties

Compound Name(Z)-7-(2,3-dimethylphenyl)-4-methyl-5-methylideneoct-6-en-2-one
PubChem CID143733497
Molecular FormulaC18H24O
Molecular Weight256.39 g/mol
Exact Mass256.18
IUPAC Name(Z)-7-(2,3-dimethylphenyl)-4-methyl-5-methylideneoct-6-en-2-one
SMILESC=C(/C=C(/C)c1cccc(C)c1C)C(C)CC(C)=O
InChIInChI=1S/C18H24O/c1-12-8-7-9-18(17(12)6)15(4)10-13(2)14(3)11-16(5)19/h7-10,14H,2,11H2,1,3-6H3/b15-10-
InChIKeyRAYDTRACAGPVDC-GDNBJRDFSA-N
XLogP4.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-[(Z)-5-methyl-4-methylidenehex-2-en-2-yl]benzene
CID 163229113
1-(2,3-dimethylphenyl)-3-hydroxybutan-1-one
CID 162516243
(E)-3-(2,3-dimethylphenyl)but-2-enal
CID 71623071
4-(2,6-dimethylphenyl)pentan-2-one
CID 21241886
(2S)-2-amino-1-(2,3-dimethylphenyl)-3-methylbutan-1-one
CID 175812414
1-(2,3-dimethylphenyl)-2-methyl-3-(methylamino)propan-1-one
CID 116586829
1-[(E)-5-bromopent-2-en-2-yl]-2,3-dimethylbenzene
CID 82088113
1-(2,3-dimethylphenyl)-4-methylpentan-1-one
CID 62548356
N-(1-chloropropan-2-yl)-2,3-dimethylbenzamide
CID 114299454
(Z)-4-(2-methylphenyl)pent-3-en-2-one
CID 67605542
1,2-dimethyl-3-[(E)-1-phenylprop-1-en-2-yl]benzene
CID 18968417
N-(1-aminopropan-2-yl)-N,2,3-trimethylbenzamide
CID 115737352

Frequently Asked Questions

What is the IUPAC name of (Z)-7-(2,3-dimethylphenyl)-4-methyl-5-methylideneoct-6-en-2-one?
The IUPAC name of (Z)-7-(2,3-dimethylphenyl)-4-methyl-5-methylideneoct-6-en-2-one (CID 143733497) is (Z)-7-(2,3-dimethylphenyl)-4-methyl-5-methylideneoct-6-en-2-one.
What is the SMILES notation for (Z)-7-(2,3-dimethylphenyl)-4-methyl-5-methylideneoct-6-en-2-one?
The canonical SMILES for (Z)-7-(2,3-dimethylphenyl)-4-methyl-5-methylideneoct-6-en-2-one is C=C(/C=C(/C)c1cccc(C)c1C)C(C)CC(C)=O.
What is the InChIKey of (Z)-7-(2,3-dimethylphenyl)-4-methyl-5-methylideneoct-6-en-2-one?
The InChIKey is RAYDTRACAGPVDC-GDNBJRDFSA-N. The full InChI is InChI=1S/C18H24O/c1-12-8-7-9-18(17(12)6)15(4)10-13(2)14(3)11-16(5)19/h7-10,14H,2,11H2,1,3-6H3/b15-10-.
What are the key properties of (Z)-7-(2,3-dimethylphenyl)-4-methyl-5-methylideneoct-6-en-2-one?
(Z)-7-(2,3-dimethylphenyl)-4-methyl-5-methylideneoct-6-en-2-one has a molecular weight of 256.39 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-(2,3-dimethylphenyl)-4-methyl-5-methylideneoct-6-en-2-one is sourced from PubChem (CID 143733497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).