1-(4-pent-1-enylcyclohexyl)-2-(4-propylphenyl)benzene

C26H34 — CID 173333209

IUPAC1-(4-pent-1-enylcyclohexyl)-2-(4-propylphenyl)benzene
SMILESCCCC=CC1CCC(c2ccccc2-c2ccc(CCC)cc2)CC1
InChIInChI=1S/C26H34/c1-3-5-6-10-22-15-19-24(20-16-22)26-12-8-7-11-25(26)23-17-13-21(9-4-2)14-18-23/h6-8,10-14,17-18,22,24H,3-5,9,15-16,19-20H2,1-2H3
InChIKeyCFVQHWHXNAJBEH-UHFFFAOYSA-N
MW346.56 g/mol
LogP7.94
Rot. Bonds7

About 1-(4-pent-1-enylcyclohexyl)-2-(4-propylphenyl)benzene

1-(4-pent-1-enylcyclohexyl)-2-(4-propylphenyl)benzene (PubChem CID 173333209) has the molecular formula C26H34 and a molecular weight of 346.56 g/mol. Its IUPAC name is 1-(4-pent-1-enylcyclohexyl)-2-(4-propylphenyl)benzene.

Molecular Properties

Compound Name1-(4-pent-1-enylcyclohexyl)-2-(4-propylphenyl)benzene
PubChem CID173333209
Molecular FormulaC26H34
Molecular Weight346.56 g/mol
Exact Mass346.27
IUPAC Name1-(4-pent-1-enylcyclohexyl)-2-(4-propylphenyl)benzene
SMILESCCCC=CC1CCC(c2ccccc2-c2ccc(CCC)cc2)CC1
InChIInChI=1S/C26H34/c1-3-5-6-10-22-15-19-24(20-16-22)26-12-8-7-11-25(26)23-17-13-21(9-4-2)14-18-23/h6-8,10-14,17-18,22,24H,3-5,9,15-16,19-20H2,1-2H3
InChIKeyCFVQHWHXNAJBEH-UHFFFAOYSA-N
XLogP7.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.56
LogP ≤ 57.94
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

2,3-difluoro-1-methoxy-4-[4-[4-[4-(4-propylphenyl)phenyl]but-1-enyl]cyclohexyl]benzene
CID 77417264
1-(3-fluorocyclohexyl)-2-(4-propylphenyl)benzene
CID 141212079
2,3-difluoro-1-propoxy-4-[4-[4-[4-(4-propylphenyl)phenyl]but-1-enyl]cyclohexyl]benzene
CID 77417265
2-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]-6-propylnaphthalene
CID 139863895
1-ethoxy-2,3-difluoro-4-[4-[4-[4-(4-propylphenyl)but-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 77455324
2,3-difluoro-1-methoxy-4-[4-[4-[4-(4-propylphenyl)but-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 77417322
1-ethyl-4-[2-(4-pentylcyclohexyl)phenyl]benzene
CID 154421706
[(E)-4-cyclopropylbut-3-enyl]benzene
CID 169432340
1-ethoxy-2,3-difluoro-4-[4-[4-(4-methylcyclohexyl)but-3-enyl]phenyl]benzene
CID 77417109
2-[4-[4-[4-[(E)-4-(4-ethylphenyl)but-1-enyl]cyclohexyl]phenyl]-2,3-difluorophenyl]oxirane
CID 88861166
2-ethyl-6-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene
CID 139862535
1-[4-[4-(4-butylphenyl)but-1-enyl]cyclohexyl]-4-ethoxy-2,3-difluorobenzene
CID 77417120

Frequently Asked Questions

What is the IUPAC name of 1-(4-pent-1-enylcyclohexyl)-2-(4-propylphenyl)benzene?
The IUPAC name of 1-(4-pent-1-enylcyclohexyl)-2-(4-propylphenyl)benzene (CID 173333209) is 1-(4-pent-1-enylcyclohexyl)-2-(4-propylphenyl)benzene.
What is the SMILES notation for 1-(4-pent-1-enylcyclohexyl)-2-(4-propylphenyl)benzene?
The canonical SMILES for 1-(4-pent-1-enylcyclohexyl)-2-(4-propylphenyl)benzene is CCCC=CC1CCC(c2ccccc2-c2ccc(CCC)cc2)CC1.
What is the InChIKey of 1-(4-pent-1-enylcyclohexyl)-2-(4-propylphenyl)benzene?
The InChIKey is CFVQHWHXNAJBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34/c1-3-5-6-10-22-15-19-24(20-16-22)26-12-8-7-11-25(26)23-17-13-21(9-4-2)14-18-23/h6-8,10-14,17-18,22,24H,3-5,9,15-16,19-20H2,1-2H3.
What are the key properties of 1-(4-pent-1-enylcyclohexyl)-2-(4-propylphenyl)benzene?
1-(4-pent-1-enylcyclohexyl)-2-(4-propylphenyl)benzene has a molecular weight of 346.56 g/mol, XLogP of 7.94, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pent-1-enylcyclohexyl)-2-(4-propylphenyl)benzene is sourced from PubChem (CID 173333209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).