1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane

C18H32 — CID 18724324

IUPAC1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane
SMILESC=CCC1CCC(C2CCC(CCC)CC2)CC1
InChIInChI=1S/C18H32/c1-3-5-15-7-11-17(12-8-15)18-13-9-16(6-4-2)10-14-18/h3,15-18H,1,4-14H2,2H3
InChIKeyFHPWWAAMPUHWPK-UHFFFAOYSA-N
MW248.45 g/mol
LogP5.98
Rot. Bonds5

About 1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane

1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane (PubChem CID 18724324) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is 1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane
PubChem CID18724324
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Name1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane
SMILESC=CCC1CCC(C2CCC(CCC)CC2)CC1
InChIInChI=1S/C18H32/c1-3-5-15-7-11-17(12-8-15)18-13-9-16(6-4-2)10-14-18/h3,15-18H,1,4-14H2,2H3
InChIKeyFHPWWAAMPUHWPK-UHFFFAOYSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.45
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-prop-2-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane
CID 18724330
1-methoxy-4-(4-prop-2-enylcyclohexyl)cyclohexane;1-methyl-4-(4-methylcyclohexyl)cyclohexane;1-methyl-4-[2-(4-methylcyclohexyl)ethyl]cyclohexane;1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane
CID 160936344
1-but-3-enyl-4-(4-prop-2-enylcyclohexyl)cyclohexane
CID 18341906
(4aR,6R,8aR)-2-ethenyl-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20807970
2-ethenyl-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22383771
1-but-3-enyl-4-(3-propylcyclopentyl)cyclohexane
CID 58555570
2-prop-2-enyl-6-(4-prop-2-enylcyclohexyl)-1,2,3,3a,4,5,6,7,8,8a-decahydroazulene
CID 173081121
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958
1-(1-prop-2-enoxyethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 67853298
1-[(1E)-buta-1,3-dienyl]-4-(4-propylcyclohexyl)cyclohexane
CID 22915763
1-[(E)-but-2-enyl]-4-(4-butylcyclohexyl)cyclohexane;1-[(E)-but-2-enyl]-4-(4-ethylcyclohexyl)cyclohexane;1-[(E)-but-2-enyl]-4-(4-pentylcyclohexyl)cyclohexane;1-[(E)-but-2-enyl]-4-(4-propylcyclohexyl)cyclohexane;1-butyl-4-(4-prop-2-enylcyclohexyl)cyclohexane;1-ethyl-4-(4-prop-2-enylcyclohexyl)cyclohexane;molecular hydrogen;1-pentyl-4-(4-prop-2-enylcyclohexyl)cyclohexane;1-[(E)-prop-1-enyl]-4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexane;1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane
CID 159707196
1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane
CID 18344057

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane?
The IUPAC name of 1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane (CID 18724324) is 1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane?
The canonical SMILES for 1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane is C=CCC1CCC(C2CCC(CCC)CC2)CC1.
What is the InChIKey of 1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane?
The InChIKey is FHPWWAAMPUHWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32/c1-3-5-15-7-11-17(12-8-15)18-13-9-16(6-4-2)10-14-18/h3,15-18H,1,4-14H2,2H3.
What are the key properties of 1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane?
1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane has a molecular weight of 248.45 g/mol, XLogP of 5.98, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-4-(4-propylcyclohexyl)cyclohexane is sourced from PubChem (CID 18724324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).