1-pentyl-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene

C26H40 — CID 169027149

IUPAC1-pentyl-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene
SMILESC/C=C/C1CCC(C2CCC(c3ccc(CCCCC)cc3)CC2)CC1
InChIInChI=1S/C26H40/c1-3-5-6-8-22-11-15-24(16-12-22)26-19-17-25(18-20-26)23-13-9-21(7-4-2)10-14-23/h4,7,11-12,15-16,21,23,25-26H,3,5-6,8-10,13-14,17-20H2,1-2H3/b7-4+
InChIKeyUSYOPSBMHUTQRX-QPJJXVBHSA-N
MW352.61 g/mol
LogP8.08
Rot. Bonds7

About 1-pentyl-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene

1-pentyl-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene (PubChem CID 169027149) has the molecular formula C26H40 and a molecular weight of 352.61 g/mol. Its IUPAC name is 1-pentyl-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene.

Molecular Properties

Compound Name1-pentyl-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene
PubChem CID169027149
Molecular FormulaC26H40
Molecular Weight352.61 g/mol
Exact Mass352.31
IUPAC Name1-pentyl-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene
SMILESC/C=C/C1CCC(C2CCC(c3ccc(CCCCC)cc3)CC2)CC1
InChIInChI=1S/C26H40/c1-3-5-6-8-22-11-15-24(16-12-22)26-19-17-25(18-20-26)23-13-9-21(7-4-2)10-14-23/h4,7,11-12,15-16,21,23,25-26H,3,5-6,8-10,13-14,17-20H2,1-2H3/b7-4+
InChIKeyUSYOPSBMHUTQRX-QPJJXVBHSA-N
XLogP8.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.61
LogP ≤ 58.08
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-(pentoxymethyl)-4-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 67677329
1-[4-[(E)-2-fluoroethenyl]cyclohexyl]-4-pentylbenzene
CID 19798701
1-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-4-pentylbenzene
CID 59931186
(E)-3-[4-(4-pentylphenyl)cyclohexyl]prop-2-enenitrile
CID 19613186
1-[4-(2-fluoroethenyl)cyclohexyl]-4-(4-hexylphenyl)benzene
CID 67859483
1-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]-4-propylbenzene
CID 18656236
1-butyl-4-[4-[(E)-2-fluoroethenyl]cyclohexyl]benzene
CID 19798870
1-(ethoxymethyl)-4-[4-[4-[(Z)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene
CID 67677413
1-[4-[4-(2-fluoroethenyl)cyclohexyl]cyclohexyl]-4-propylbenzene
CID 67859284
5-[4-[2-[4-(4-pentylphenyl)cyclohexyl]ethenyl]cyclohexyl]penta-2,4-dienenitrile
CID 54552630
1-fluoro-2-pentyl-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene
CID 139863811
1-but-3-enyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene
CID 161061804

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene?
The IUPAC name of 1-pentyl-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene (CID 169027149) is 1-pentyl-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene.
What is the SMILES notation for 1-pentyl-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene?
The canonical SMILES for 1-pentyl-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene is C/C=C/C1CCC(C2CCC(c3ccc(CCCCC)cc3)CC2)CC1.
What is the InChIKey of 1-pentyl-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene?
The InChIKey is USYOPSBMHUTQRX-QPJJXVBHSA-N. The full InChI is InChI=1S/C26H40/c1-3-5-6-8-22-11-15-24(16-12-22)26-19-17-25(18-20-26)23-13-9-21(7-4-2)10-14-23/h4,7,11-12,15-16,21,23,25-26H,3,5-6,8-10,13-14,17-20H2,1-2H3/b7-4+.
What are the key properties of 1-pentyl-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene?
1-pentyl-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene has a molecular weight of 352.61 g/mol, XLogP of 8.08, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]benzene is sourced from PubChem (CID 169027149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).