(6E)-3,7-dimethyl-1-(4-methylphenyl)nona-6,8-dien-4-one

C18H24O — CID 138692060

IUPAC(6E)-3,7-dimethyl-1-(4-methylphenyl)nona-6,8-dien-4-one
SMILESC=C/C(C)=C/CC(=O)C(C)CCc1ccc(C)cc1
InChIInChI=1S/C18H24O/c1-5-14(2)8-13-18(19)16(4)9-12-17-10-6-15(3)7-11-17/h5-8,10-11,16H,1,9,12-13H2,2-4H3/b14-8+
InChIKeyJJCGWIWWTNEKII-RIYZIHGNSA-N
MW256.39 g/mol
LogP4.66
Rot. Bonds7

About (6E)-3,7-dimethyl-1-(4-methylphenyl)nona-6,8-dien-4-one

(6E)-3,7-dimethyl-1-(4-methylphenyl)nona-6,8-dien-4-one (PubChem CID 138692060) has the molecular formula C18H24O and a molecular weight of 256.39 g/mol. Its IUPAC name is (6E)-3,7-dimethyl-1-(4-methylphenyl)nona-6,8-dien-4-one.

Molecular Properties

Compound Name(6E)-3,7-dimethyl-1-(4-methylphenyl)nona-6,8-dien-4-one
PubChem CID138692060
Molecular FormulaC18H24O
Molecular Weight256.39 g/mol
Exact Mass256.18
IUPAC Name(6E)-3,7-dimethyl-1-(4-methylphenyl)nona-6,8-dien-4-one
SMILESC=C/C(C)=C/CC(=O)C(C)CCc1ccc(C)cc1
InChIInChI=1S/C18H24O/c1-5-14(2)8-13-18(19)16(4)9-12-17-10-6-15(3)7-11-17/h5-8,10-11,16H,1,9,12-13H2,2-4H3/b14-8+
InChIKeyJJCGWIWWTNEKII-RIYZIHGNSA-N
XLogP4.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.66
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

CID 228987
CID 228987
CID 517827
CID 517827
CID 17355
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CID 7678
CID 7678
CID 8500
CID 8500
CID 12837
CID 12837
CID 85979
CID 85979
CID 66093
CID 66093
CID 7593
CID 7593
CID 12578
CID 12578
CID 95594
CID 95594
CID 219672
CID 219672

Frequently Asked Questions

What is the IUPAC name of (6E)-3,7-dimethyl-1-(4-methylphenyl)nona-6,8-dien-4-one?
The IUPAC name of (6E)-3,7-dimethyl-1-(4-methylphenyl)nona-6,8-dien-4-one (CID 138692060) is (6E)-3,7-dimethyl-1-(4-methylphenyl)nona-6,8-dien-4-one.
What is the SMILES notation for (6E)-3,7-dimethyl-1-(4-methylphenyl)nona-6,8-dien-4-one?
The canonical SMILES for (6E)-3,7-dimethyl-1-(4-methylphenyl)nona-6,8-dien-4-one is C=C/C(C)=C/CC(=O)C(C)CCc1ccc(C)cc1.
What is the InChIKey of (6E)-3,7-dimethyl-1-(4-methylphenyl)nona-6,8-dien-4-one?
The InChIKey is JJCGWIWWTNEKII-RIYZIHGNSA-N. The full InChI is InChI=1S/C18H24O/c1-5-14(2)8-13-18(19)16(4)9-12-17-10-6-15(3)7-11-17/h5-8,10-11,16H,1,9,12-13H2,2-4H3/b14-8+.
What are the key properties of (6E)-3,7-dimethyl-1-(4-methylphenyl)nona-6,8-dien-4-one?
(6E)-3,7-dimethyl-1-(4-methylphenyl)nona-6,8-dien-4-one has a molecular weight of 256.39 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-3,7-dimethyl-1-(4-methylphenyl)nona-6,8-dien-4-one is sourced from PubChem (CID 138692060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).