1-[4-[(4E)-5,9-dimethyldeca-4,8-dien-2-yl]phenyl]ethanone

C20H28O — CID 155128526

IUPAC1-[4-[(4E)-5,9-dimethyldeca-4,8-dien-2-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(C(C)C/C=C(\C)CCC=C(C)C)cc1
InChIInChI=1S/C20H28O/c1-15(2)7-6-8-16(3)9-10-17(4)19-11-13-20(14-12-19)18(5)21/h7,9,11-14,17H,6,8,10H2,1-5H3/b16-9+
InChIKeyAJBKBNVAPRDJCG-CXUHLZMHSA-N
MW284.44 g/mol
LogP6.08
Rot. Bonds7

About 1-[4-[(4E)-5,9-dimethyldeca-4,8-dien-2-yl]phenyl]ethanone

1-[4-[(4E)-5,9-dimethyldeca-4,8-dien-2-yl]phenyl]ethanone (PubChem CID 155128526) has the molecular formula C20H28O and a molecular weight of 284.44 g/mol. Its IUPAC name is 1-[4-[(4E)-5,9-dimethyldeca-4,8-dien-2-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(4E)-5,9-dimethyldeca-4,8-dien-2-yl]phenyl]ethanone
PubChem CID155128526
Molecular FormulaC20H28O
Molecular Weight284.44 g/mol
Exact Mass284.21
IUPAC Name1-[4-[(4E)-5,9-dimethyldeca-4,8-dien-2-yl]phenyl]ethanone
SMILESCC(=O)c1ccc(C(C)C/C=C(\C)CCC=C(C)C)cc1
InChIInChI=1S/C20H28O/c1-15(2)7-6-8-16(3)9-10-17(4)19-11-13-20(14-12-19)18(5)21/h7,9,11-14,17H,6,8,10H2,1-5H3/b16-9+
InChIKeyAJBKBNVAPRDJCG-CXUHLZMHSA-N
XLogP6.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.44
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(2S)-6,10-dimethylundeca-5,9-dien-2-yl]-4-methylbenzene
CID 162899146
1-methyl-4-[(2R,5E,9E,13E,17E)-6,10,14,18,22-pentamethyltricosa-5,9,13,17,21-pentaen-2-yl]benzene
CID 139586981
(4E)-2-(4-methoxyphenyl)-5,9-dimethyldeca-4,8-dienoic acid
CID 10518482
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-phenylbutane-1,3-dione
CID 10063286
(6E,10E,14E)-2,6,10,14,17-pentamethyloctadeca-2,6,10,14-tetraene
CID 140685405
(3Z)-4,8-dimethyl-1-phenylnona-3,7-dien-1-ol
CID 14027932
(4Z)-2-[(2Z)-3,7-dimethylocta-2,6-dienyl]-5,9-dimethyldeca-4,8-dienoic acid
CID 6476245
2-hydroxy-5,9-dimethyldeca-4,8-dienoic acid
CID 173203738
1-[4-[(2R)-1-hydroperoxypropan-2-yl]phenyl]ethanone
CID 125477987
1-[4-[(2R)-1-methylsulfonylpropan-2-yl]phenyl]ethanone
CID 148826894
[(2E)-3,7-dimethylocta-2,6-dienyl] 4-aminobenzoate
CID 18604951
1-(4-bromophenyl)-2,7-dimethyl-3-methylideneoct-6-en-1-one
CID 102578119

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4E)-5,9-dimethyldeca-4,8-dien-2-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[(4E)-5,9-dimethyldeca-4,8-dien-2-yl]phenyl]ethanone (CID 155128526) is 1-[4-[(4E)-5,9-dimethyldeca-4,8-dien-2-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(4E)-5,9-dimethyldeca-4,8-dien-2-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[(4E)-5,9-dimethyldeca-4,8-dien-2-yl]phenyl]ethanone is CC(=O)c1ccc(C(C)C/C=C(\C)CCC=C(C)C)cc1.
What is the InChIKey of 1-[4-[(4E)-5,9-dimethyldeca-4,8-dien-2-yl]phenyl]ethanone?
The InChIKey is AJBKBNVAPRDJCG-CXUHLZMHSA-N. The full InChI is InChI=1S/C20H28O/c1-15(2)7-6-8-16(3)9-10-17(4)19-11-13-20(14-12-19)18(5)21/h7,9,11-14,17H,6,8,10H2,1-5H3/b16-9+.
What are the key properties of 1-[4-[(4E)-5,9-dimethyldeca-4,8-dien-2-yl]phenyl]ethanone?
1-[4-[(4E)-5,9-dimethyldeca-4,8-dien-2-yl]phenyl]ethanone has a molecular weight of 284.44 g/mol, XLogP of 6.08, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4E)-5,9-dimethyldeca-4,8-dien-2-yl]phenyl]ethanone is sourced from PubChem (CID 155128526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).