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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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).