1-pent-3-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane

C20H34 — CID 54021593

IUPAC1-pent-3-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane
SMILESCC=CCCC1CCC(C2CCC(C=CC)CC2)CC1
InChIInChI=1S/C20H34/c1-3-5-6-8-18-11-15-20(16-12-18)19-13-9-17(7-4-2)10-14-19/h3-5,7,17-20H,6,8-16H2,1-2H3
InChIKeyRRJWFUKNNXEFLJ-UHFFFAOYSA-N
MW274.49 g/mol
LogP6.53
Rot. Bonds5

About 1-pent-3-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane

1-pent-3-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane (PubChem CID 54021593) has the molecular formula C20H34 and a molecular weight of 274.49 g/mol. Its IUPAC name is 1-pent-3-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-pent-3-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane
PubChem CID54021593
Molecular FormulaC20H34
Molecular Weight274.49 g/mol
Exact Mass274.27
IUPAC Name1-pent-3-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane
SMILESCC=CCCC1CCC(C2CCC(C=CC)CC2)CC1
InChIInChI=1S/C20H34/c1-3-5-6-8-18-11-15-20(16-12-18)19-13-9-17(7-4-2)10-14-19/h3-5,7,17-20H,6,8-16H2,1-2H3
InChIKeyRRJWFUKNNXEFLJ-UHFFFAOYSA-N
XLogP6.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.49
LogP ≤ 56.53
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

1-[(E)-2-fluoroethenyl]-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane
CID 140599571
1-prop-1-enyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]but-1-enyl]cyclohexane
CID 54574523
1-ethyl-4-[4-[4-(4-pent-3-enylcyclohexyl)but-1-enyl]cyclohexyl]cyclohexane
CID 54480516
1-(4-pentylcyclohexyl)-4-[(E)-4-[4-[(E)-prop-1-enyl]cyclohexyl]but-1-enyl]cyclohexane
CID 19070151
1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane;1-ethenyl-4-(4-ethenylcyclohexyl)cyclohexane;1-ethenyl-4-(4-methylcyclohexyl)cyclohexane;1-ethenyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;1-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane;1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;molecular hydrogen;1-[(E)-prop-1-enyl]-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
CID 161342779
1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane;1-ethenyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane;1-methyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;molecular hydrogen
CID 158903641
1,4-bis(4-ethenylcyclohexyl)cyclohexane;1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane;1-[(E)-2-(4-ethenylcyclohexyl)ethenyl]-4-(4-methylcyclohexyl)cyclohexane;1-(4-ethenylcyclohexyl)-4-(4-methylcyclohexyl)cyclohexane;1-ethenyl-4-(4-ethenylcyclohexyl)cyclohexane;1-ethenyl-4-[(E)-2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethenyl]cyclohexane;1-ethenyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;1-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane;molecular hydrogen
CID 157307820
1-but-3-enyl-4-(4-but-3-enylcyclohexyl)cyclohexane;1-but-3-enyl-4-(4-ethenylcyclohexyl)cyclohexane;1-but-3-enyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane;1-but-3-enyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;1-(2,2-difluoroethenyl)-4-(4-ethenylcyclohexyl)cyclohexane;1-ethenyl-4-(4-ethenylcyclohexyl)cyclohexane;1-ethenyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane;1-ethenyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;1-[(E)-pent-3-enyl]-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane;1-[(E)-pent-3-enyl]-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;1-[(E)-prop-1-enyl]-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane
CID 158770701
1-ethyl-4-[(E)-4-[4-[(E)-pent-3-enyl]cyclohexyl]but-1-enyl]cyclohexane
CID 19070206
1-ethyl-4-[(E)-4-(4-prop-1-enylcyclohexyl)but-1-enyl]cyclohexane
CID 173282061
methane;1-methyl-4-[4-[(E)-pent-3-enyl]cyclohexyl]cyclohexane
CID 145124798
1-but-3-enyl-4-[4-(4-prop-1-enylcyclohexyl)but-3-enyl]cyclohexane
CID 54419641

Frequently Asked Questions

What is the IUPAC name of 1-pent-3-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane?
The IUPAC name of 1-pent-3-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane (CID 54021593) is 1-pent-3-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-pent-3-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane?
The canonical SMILES for 1-pent-3-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane is CC=CCCC1CCC(C2CCC(C=CC)CC2)CC1.
What is the InChIKey of 1-pent-3-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane?
The InChIKey is RRJWFUKNNXEFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34/c1-3-5-6-8-18-11-15-20(16-12-18)19-13-9-17(7-4-2)10-14-19/h3-5,7,17-20H,6,8-16H2,1-2H3.
What are the key properties of 1-pent-3-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane?
1-pent-3-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane has a molecular weight of 274.49 g/mol, XLogP of 6.53, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-3-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane is sourced from PubChem (CID 54021593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).