[(3E,7E)-2,9-dimethyl-7-phenyldeca-3,7-dien-5-yn-4-yl]benzene

C24H26 — CID 5378828

IUPAC[(3E,7E)-2,9-dimethyl-7-phenyldeca-3,7-dien-5-yn-4-yl]benzene
SMILESCC(C)/C=C(/C#C/C(=C/C(C)C)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26/c1-19(2)17-23(21-11-7-5-8-12-21)15-16-24(18-20(3)4)22-13-9-6-10-14-22/h5-14,17-20H,1-4H3/b23-17-,24-18-
InChIKeyFSGFLPJTILQZCT-BOYKQRMESA-N
MW314.47 g/mol
LogP6.47
Rot. Bonds4

About [(3E,7E)-2,9-dimethyl-7-phenyldeca-3,7-dien-5-yn-4-yl]benzene

[(3E,7E)-2,9-dimethyl-7-phenyldeca-3,7-dien-5-yn-4-yl]benzene (PubChem CID 5378828) has the molecular formula C24H26 and a molecular weight of 314.47 g/mol. Its IUPAC name is [(3E,7E)-2,9-dimethyl-7-phenyldeca-3,7-dien-5-yn-4-yl]benzene.

Molecular Properties

Compound Name[(3E,7E)-2,9-dimethyl-7-phenyldeca-3,7-dien-5-yn-4-yl]benzene
PubChem CID5378828
Molecular FormulaC24H26
Molecular Weight314.47 g/mol
Exact Mass314.20
IUPAC Name[(3E,7E)-2,9-dimethyl-7-phenyldeca-3,7-dien-5-yn-4-yl]benzene
SMILESCC(C)/C=C(/C#C/C(=C/C(C)C)c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26/c1-19(2)17-23(21-11-7-5-8-12-21)15-16-24(18-20(3)4)22-13-9-6-10-14-22/h5-14,17-20H,1-4H3/b23-17-,24-18-
InChIKeyFSGFLPJTILQZCT-BOYKQRMESA-N
XLogP6.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.47
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(3E,7E)-2,9-dimethyl-7-phenyldeca-3,7-dien-5-yn-4-yl]benzene with MolForge

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Related Compounds

(Z)-4,6-diphenylhex-3-en-5-yn-2-ol
CID 134859358
[(E)-3-methyl-1-phenylbut-1-enyl]tellanylbenzene
CID 15019275
butane-2,3-diol;diphenylmethanone
CID 175235923
[(Z)-1,3,5-triphenylpent-2-en-4-ynyl] acetate
CID 101487318
(Z)-4-methyl-2-[(E)-2-phenylprop-1-enyl]pent-2-enenitrile
CID 100960930
(Z)-2-(4-bromophenyl)-4-methylpent-2-enenitrile
CID 58719896
4-methylhex-2-en-2-ylbenzene
CID 76543432
[(Z)-2,4-diphenylbut-1-en-3-ynyl]-triphenylphosphanium tetrafluoroborate
CID 139185319
(Z)-4-methyl-2,5,6-triphenylhept-2-enedinitrile
CID 6197723
2-phenyl-3-propan-2-ylsulfonylprop-2-enenitrile
CID 67333624
[(E)-4-methylpent-2-en-2-yl]-triphenylsilane
CID 13332877
(Z)-3-phenyl-3-propan-2-ylsulfanylprop-2-enenitrile
CID 168744985

Frequently Asked Questions

What is the IUPAC name of [(3E,7E)-2,9-dimethyl-7-phenyldeca-3,7-dien-5-yn-4-yl]benzene?
The IUPAC name of [(3E,7E)-2,9-dimethyl-7-phenyldeca-3,7-dien-5-yn-4-yl]benzene (CID 5378828) is [(3E,7E)-2,9-dimethyl-7-phenyldeca-3,7-dien-5-yn-4-yl]benzene.
What is the SMILES notation for [(3E,7E)-2,9-dimethyl-7-phenyldeca-3,7-dien-5-yn-4-yl]benzene?
The canonical SMILES for [(3E,7E)-2,9-dimethyl-7-phenyldeca-3,7-dien-5-yn-4-yl]benzene is CC(C)/C=C(/C#C/C(=C/C(C)C)c1ccccc1)c1ccccc1.
What is the InChIKey of [(3E,7E)-2,9-dimethyl-7-phenyldeca-3,7-dien-5-yn-4-yl]benzene?
The InChIKey is FSGFLPJTILQZCT-BOYKQRMESA-N. The full InChI is InChI=1S/C24H26/c1-19(2)17-23(21-11-7-5-8-12-21)15-16-24(18-20(3)4)22-13-9-6-10-14-22/h5-14,17-20H,1-4H3/b23-17-,24-18-.
What are the key properties of [(3E,7E)-2,9-dimethyl-7-phenyldeca-3,7-dien-5-yn-4-yl]benzene?
[(3E,7E)-2,9-dimethyl-7-phenyldeca-3,7-dien-5-yn-4-yl]benzene has a molecular weight of 314.47 g/mol, XLogP of 6.47, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,7E)-2,9-dimethyl-7-phenyldeca-3,7-dien-5-yn-4-yl]benzene is sourced from PubChem (CID 5378828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).