1-(1-cyclohexyl-6-methylhepta-3,6-dien-3-yl)-4-phenylbenzene

C26H32 — CID 123510893

IUPAC1-(1-cyclohexyl-6-methylhepta-3,6-dien-3-yl)-4-phenylbenzene
SMILESC=C(C)CC=C(CCC1CCCCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H32/c1-21(2)13-15-24(16-14-22-9-5-3-6-10-22)26-19-17-25(18-20-26)23-11-7-4-8-12-23/h4,7-8,11-12,15,17-20,22H,1,3,5-6,9-10,13-14,16H2,2H3
InChIKeyBEIUBDRYCOJHLH-UHFFFAOYSA-N
MW344.54 g/mol
LogP8.06
Rot. Bonds7

About 1-(1-cyclohexyl-6-methylhepta-3,6-dien-3-yl)-4-phenylbenzene

1-(1-cyclohexyl-6-methylhepta-3,6-dien-3-yl)-4-phenylbenzene (PubChem CID 123510893) has the molecular formula C26H32 and a molecular weight of 344.54 g/mol. Its IUPAC name is 1-(1-cyclohexyl-6-methylhepta-3,6-dien-3-yl)-4-phenylbenzene.

Molecular Properties

Compound Name1-(1-cyclohexyl-6-methylhepta-3,6-dien-3-yl)-4-phenylbenzene
PubChem CID123510893
Molecular FormulaC26H32
Molecular Weight344.54 g/mol
Exact Mass344.25
IUPAC Name1-(1-cyclohexyl-6-methylhepta-3,6-dien-3-yl)-4-phenylbenzene
SMILESC=C(C)CC=C(CCC1CCCCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C26H32/c1-21(2)13-15-24(16-14-22-9-5-3-6-10-22)26-19-17-25(18-20-26)23-11-7-4-8-12-23/h4,7-8,11-12,15,17-20,22H,1,3,5-6,9-10,13-14,16H2,2H3
InChIKeyBEIUBDRYCOJHLH-UHFFFAOYSA-N
XLogP8.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.54
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-5-cyclohexylpent-2-en-3-yl]benzene
CID 11241663
3-cyclohexyl-1-[4-(4-phenylbenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 108544297
2-cyclopentyl-1-(4-phenylphenyl)ethanone
CID 23550345
N-[1-(3-cyclohexylpropanoyl)piperidin-4-yl]-4-phenylbenzamide
CID 108549480
(NE)-N-[3-(cyclopentylmethyl)-4-imino-4-(4-phenylphenyl)butan-2-ylidene]hydroxylamine
CID 145129865
1-hexa-2,5-dien-3-yl-4-phenylbenzene
CID 173362855
4-amino-1-cyclohexyl-4-phenylpentan-3-one
CID 114193549
(4-cyclopentyl-2-methylidenebutyl)-methyl-diphenylsilane
CID 162694845
4-cyclohexyl-1-(4-methylphenyl)butan-1-one
CID 10514463
N-(5-cyclohexyl-2-methylpent-2-en-3-yl)-1-(4-methylphenyl)ethanimine
CID 142217146
2-[(2E)-5-methylhexa-2,5-dien-2-yl]naphthalene;1,4-xylene
CID 142975570
1-cyclohexyl-N-[(4-phenylphenyl)methyl]methanamine
CID 43215570

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexyl-6-methylhepta-3,6-dien-3-yl)-4-phenylbenzene?
The IUPAC name of 1-(1-cyclohexyl-6-methylhepta-3,6-dien-3-yl)-4-phenylbenzene (CID 123510893) is 1-(1-cyclohexyl-6-methylhepta-3,6-dien-3-yl)-4-phenylbenzene.
What is the SMILES notation for 1-(1-cyclohexyl-6-methylhepta-3,6-dien-3-yl)-4-phenylbenzene?
The canonical SMILES for 1-(1-cyclohexyl-6-methylhepta-3,6-dien-3-yl)-4-phenylbenzene is C=C(C)CC=C(CCC1CCCCC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(1-cyclohexyl-6-methylhepta-3,6-dien-3-yl)-4-phenylbenzene?
The InChIKey is BEIUBDRYCOJHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32/c1-21(2)13-15-24(16-14-22-9-5-3-6-10-22)26-19-17-25(18-20-26)23-11-7-4-8-12-23/h4,7-8,11-12,15,17-20,22H,1,3,5-6,9-10,13-14,16H2,2H3.
What are the key properties of 1-(1-cyclohexyl-6-methylhepta-3,6-dien-3-yl)-4-phenylbenzene?
1-(1-cyclohexyl-6-methylhepta-3,6-dien-3-yl)-4-phenylbenzene has a molecular weight of 344.54 g/mol, XLogP of 8.06, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexyl-6-methylhepta-3,6-dien-3-yl)-4-phenylbenzene is sourced from PubChem (CID 123510893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).