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

C20H36 — CID 20594578

IUPAC1-pentyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
SMILESC/C=C/C1CCC(C2CCC(CCCCC)CC2)CC1
InChIInChI=1S/C20H36/c1-3-5-6-8-18-11-15-20(16-12-18)19-13-9-17(7-4-2)10-14-19/h4,7,17-20H,3,5-6,8-16H2,1-2H3/b7-4+
InChIKeyULZKWMBZCQZGMN-QPJJXVBHSA-N
MW276.51 g/mol
LogP6.76
Rot. Bonds6

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

1-pentyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane (PubChem CID 20594578) has the molecular formula C20H36 and a molecular weight of 276.51 g/mol. Its IUPAC name is 1-pentyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-pentyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
PubChem CID20594578
Molecular FormulaC20H36
Molecular Weight276.51 g/mol
Exact Mass276.28
IUPAC Name1-pentyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
SMILESC/C=C/C1CCC(C2CCC(CCCCC)CC2)CC1
InChIInChI=1S/C20H36/c1-3-5-6-8-18-11-15-20(16-12-18)19-13-9-17(7-4-2)10-14-19/h4,7,17-20H,3,5-6,8-16H2,1-2H3/b7-4+
InChIKeyULZKWMBZCQZGMN-QPJJXVBHSA-N
XLogP6.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.51
LogP ≤ 56.76
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-pentylcyclohexyl)-4-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-1-enyl]cyclohexane
CID 19070151
1-(3-fluoropropyl)-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
CID 70907603
1-butyl-4-[(E)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]cyclohexane
CID 139659740
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385
1-(3-methoxyprop-1-enyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54047469
1-butyl-4-[(E)-prop-1-enyl]cyclohexane;1-decyl-4-[(E)-prop-1-enyl]cyclohexane;1-heptyl-4-[(E)-prop-1-enyl]cyclohexane;1-hexyl-4-[(E)-prop-1-enyl]cyclohexane;1-nonyl-4-[(E)-prop-1-enyl]cyclohexane;1-octyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-pent-3-enyl]-4-[(E)-prop-1-enyl]cyclohexane;1-pentyl-4-[(E)-prop-1-enyl]cyclohexane;1-[(E)-prop-1-enyl]-4-propylcyclohexane
CID 159199082
1-non-3-enyl-4-prop-1-enylcyclohexane
CID 123968866
1-[(E)-but-1-enyl]-4-(4-butylcyclohexyl)cyclohexane;1-[(E)-but-1-enyl]-4-(4-ethylcyclohexyl)cyclohexane;1-[(E)-but-1-enyl]-4-(4-pentylcyclohexyl)cyclohexane;1-[(E)-but-1-enyl]-4-(4-propylcyclohexyl)cyclohexane;1-butyl-4-(4-ethenylcyclohexyl)cyclohexane;1-butyl-4-(4-propylcyclohexyl)cyclohexane;1-ethenyl-4-(4-pentylcyclohexyl)cyclohexane;1-ethenyl-4-(4-propylcyclohexyl)cyclohexane;1-ethyl-4-(4-pentylcyclohexyl)cyclohexane;1-ethyl-4-(4-propylcyclohexyl)cyclohexane;molecular hydrogen;1-pentyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;1-pentyl-4-(4-propylcyclohexyl)cyclohexane;1-[(E)-prop-1-enyl]-4-(4-propylcyclohexyl)cyclohexane
CID 158553427
1-[(E)-but-2-enyl]-4-(4-pentylcyclohexyl)cyclohexane
CID 125478979
1-butyl-4-[4-(4-decylcyclohexyl)cyclohexyl]cyclohexane
CID 54137563

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane?
The IUPAC name of 1-pentyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane (CID 20594578) is 1-pentyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane.
What is the SMILES notation for 1-pentyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane?
The canonical SMILES for 1-pentyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane is C/C=C/C1CCC(C2CCC(CCCCC)CC2)CC1.
What is the InChIKey of 1-pentyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane?
The InChIKey is ULZKWMBZCQZGMN-QPJJXVBHSA-N. The full InChI is InChI=1S/C20H36/c1-3-5-6-8-18-11-15-20(16-12-18)19-13-9-17(7-4-2)10-14-19/h4,7,17-20H,3,5-6,8-16H2,1-2H3/b7-4+.
What are the key properties of 1-pentyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane?
1-pentyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane has a molecular weight of 276.51 g/mol, XLogP of 6.76, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane is sourced from PubChem (CID 20594578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).