1-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]-4-(4-propylphenyl)benzene

C32H44 — CID 123889648

IUPAC1-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]-4-(4-propylphenyl)benzene
SMILESCCCCCC1C=CC(C2CCC(c3ccc(-c4ccc(CCC)cc4)cc3)CC2)CC1
InChIInChI=1S/C32H44/c1-3-5-6-8-26-11-15-28(16-12-26)30-19-23-32(24-20-30)31-21-17-29(18-22-31)27-13-9-25(7-4-2)10-14-27/h9-11,13-15,17-18,21-22,26,28,30,32H,3-8,12,16,19-20,23-24H2,1-2H3
InChIKeyLWNXSLJTJNOKAZ-UHFFFAOYSA-N
MW428.70 g/mol
LogP9.74
Rot. Bonds9

About 1-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]-4-(4-propylphenyl)benzene

1-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]-4-(4-propylphenyl)benzene (PubChem CID 123889648) has the molecular formula C32H44 and a molecular weight of 428.70 g/mol. Its IUPAC name is 1-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]-4-(4-propylphenyl)benzene.

Molecular Properties

Compound Name1-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]-4-(4-propylphenyl)benzene
PubChem CID123889648
Molecular FormulaC32H44
Molecular Weight428.70 g/mol
Exact Mass428.34
IUPAC Name1-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]-4-(4-propylphenyl)benzene
SMILESCCCCCC1C=CC(C2CCC(c3ccc(-c4ccc(CCC)cc4)cc3)CC2)CC1
InChIInChI=1S/C32H44/c1-3-5-6-8-26-11-15-28(16-12-26)30-19-23-32(24-20-30)31-21-17-29(18-22-31)27-13-9-25(7-4-2)10-14-27/h9-11,13-15,17-18,21-22,26,28,30,32H,3-8,12,16,19-20,23-24H2,1-2H3
InChIKeyLWNXSLJTJNOKAZ-UHFFFAOYSA-N
XLogP9.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.70
LogP ≤ 59.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[4-(4-pentylcyclohexyl)cyclohex-2-en-1-yl]butyl]-4-(4-propylcyclohexyl)benzene
CID 123794995
1-butyl-4-[4-[(E)-2-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]ethenyl]cyclohexyl]benzene
CID 140619215
1-[4-[4-[(E)-2-(4-pentylcyclohex-2-en-1-yl)ethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene
CID 140619239
1-(4-hexylcyclohexyl)-4-(4-propylphenyl)benzene
CID 20539374
1-(4-heptylcyclohexyl)-4-(4-propylphenyl)benzene
CID 20538985
(4aR,6R,8aR)-2-hexyl-6-[4-(4-propylphenyl)phenyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809518
1-pentyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15606766
1-(4-heptylcyclohexyl)-4-propylbenzene
CID 14941603
1-nonyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 22008062
1-dodecyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539025
1-hexyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20539243
1-hexyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539240

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]-4-(4-propylphenyl)benzene?
The IUPAC name of 1-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]-4-(4-propylphenyl)benzene (CID 123889648) is 1-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]-4-(4-propylphenyl)benzene.
What is the SMILES notation for 1-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]-4-(4-propylphenyl)benzene?
The canonical SMILES for 1-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]-4-(4-propylphenyl)benzene is CCCCCC1C=CC(C2CCC(c3ccc(-c4ccc(CCC)cc4)cc3)CC2)CC1.
What is the InChIKey of 1-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]-4-(4-propylphenyl)benzene?
The InChIKey is LWNXSLJTJNOKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H44/c1-3-5-6-8-26-11-15-28(16-12-26)30-19-23-32(24-20-30)31-21-17-29(18-22-31)27-13-9-25(7-4-2)10-14-27/h9-11,13-15,17-18,21-22,26,28,30,32H,3-8,12,16,19-20,23-24H2,1-2H3.
What are the key properties of 1-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]-4-(4-propylphenyl)benzene?
1-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]-4-(4-propylphenyl)benzene has a molecular weight of 428.70 g/mol, XLogP of 9.74, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-pentylcyclohex-2-en-1-yl)cyclohexyl]-4-(4-propylphenyl)benzene is sourced from PubChem (CID 123889648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).