1-methyl-4-(6-phenyldeca-3,5-dien-3-yl)benzene

C23H28 — CID 173389416

IUPAC1-methyl-4-(6-phenyldeca-3,5-dien-3-yl)benzene
SMILESCCCCC(=CC=C(CC)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C23H28/c1-4-6-10-22(21-11-8-7-9-12-21)18-17-20(5-2)23-15-13-19(3)14-16-23/h7-9,11-18H,4-6,10H2,1-3H3
InChIKeyOVAPHSQWKWXGHP-UHFFFAOYSA-N
MW304.48 g/mol
LogP7.06
Rot. Bonds7

About 1-methyl-4-(6-phenyldeca-3,5-dien-3-yl)benzene

1-methyl-4-(6-phenyldeca-3,5-dien-3-yl)benzene (PubChem CID 173389416) has the molecular formula C23H28 and a molecular weight of 304.48 g/mol. Its IUPAC name is 1-methyl-4-(6-phenyldeca-3,5-dien-3-yl)benzene.

Molecular Properties

Compound Name1-methyl-4-(6-phenyldeca-3,5-dien-3-yl)benzene
PubChem CID173389416
Molecular FormulaC23H28
Molecular Weight304.48 g/mol
Exact Mass304.22
IUPAC Name1-methyl-4-(6-phenyldeca-3,5-dien-3-yl)benzene
SMILESCCCCC(=CC=C(CC)c1ccc(C)cc1)c1ccccc1
InChIInChI=1S/C23H28/c1-4-6-10-22(21-11-8-7-9-12-21)18-17-20(5-2)23-15-13-19(3)14-16-23/h7-9,11-18H,4-6,10H2,1-3H3
InChIKeyOVAPHSQWKWXGHP-UHFFFAOYSA-N
XLogP7.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.48
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(E)-hept-2-en-3-yl]benzene
CID 14568345
[(E)-1-phenylhex-1-en-2-yl]benzene
CID 11791205
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CID 101008148
(E)-N-methyl-3-phenylpent-2-en-1-imine
CID 177407288
1-methyl-3-[(E)-2-phenylhex-1-enoxy]benzene
CID 72711989
1-[(1E,3Z)-2-butyl-3-phenylocta-1,3-dienyl]-4-methylbenzene
CID 10544592
1-methyl-4-[(3E,5Z)-octa-3,5,7-trien-3-yl]benzene
CID 144661005
[(Z)-1-methylsulfanylhept-1-en-2-yl]benzene
CID 11672996
[(E)-1-(benzenesulfinyl)hex-1-en-2-yl]benzene
CID 138974661
1-methyl-4-[(2E,4E)-5-phenylhexa-2,4-dien-2-yl]benzene
CID 143180234
1-methyl-4-[(E)-1-phenylbut-1-enyl]benzene
CID 102093677
1-fluoro-4-[(E)-1-phenylhex-1-en-2-yl]benzene
CID 72736917

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(6-phenyldeca-3,5-dien-3-yl)benzene?
The IUPAC name of 1-methyl-4-(6-phenyldeca-3,5-dien-3-yl)benzene (CID 173389416) is 1-methyl-4-(6-phenyldeca-3,5-dien-3-yl)benzene.
What is the SMILES notation for 1-methyl-4-(6-phenyldeca-3,5-dien-3-yl)benzene?
The canonical SMILES for 1-methyl-4-(6-phenyldeca-3,5-dien-3-yl)benzene is CCCCC(=CC=C(CC)c1ccc(C)cc1)c1ccccc1.
What is the InChIKey of 1-methyl-4-(6-phenyldeca-3,5-dien-3-yl)benzene?
The InChIKey is OVAPHSQWKWXGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28/c1-4-6-10-22(21-11-8-7-9-12-21)18-17-20(5-2)23-15-13-19(3)14-16-23/h7-9,11-18H,4-6,10H2,1-3H3.
What are the key properties of 1-methyl-4-(6-phenyldeca-3,5-dien-3-yl)benzene?
1-methyl-4-(6-phenyldeca-3,5-dien-3-yl)benzene has a molecular weight of 304.48 g/mol, XLogP of 7.06, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(6-phenyldeca-3,5-dien-3-yl)benzene is sourced from PubChem (CID 173389416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).