1-methyl-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexane

C18H32 — CID 143239770

IUPAC1-methyl-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexane
SMILESCCCC1CCC(/C=C/C2CCC(C)CC2)CC1
InChIInChI=1S/C18H32/c1-3-4-16-9-11-18(12-10-16)14-13-17-7-5-15(2)6-8-17/h13-18H,3-12H2,1-2H3/b14-13+
InChIKeySCPKPGWJOZUYHV-BUHFOSPRSA-N
MW248.45 g/mol
LogP5.98
Rot. Bonds4

About 1-methyl-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexane

1-methyl-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexane (PubChem CID 143239770) has the molecular formula C18H32 and a molecular weight of 248.45 g/mol. Its IUPAC name is 1-methyl-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexane.

Molecular Properties

Compound Name1-methyl-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexane
PubChem CID143239770
Molecular FormulaC18H32
Molecular Weight248.45 g/mol
Exact Mass248.25
IUPAC Name1-methyl-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexane
SMILESCCCC1CCC(/C=C/C2CCC(C)CC2)CC1
InChIInChI=1S/C18H32/c1-3-4-16-9-11-18(12-10-16)14-13-17-7-5-15(2)6-8-17/h13-18H,3-12H2,1-2H3/b14-13+
InChIKeySCPKPGWJOZUYHV-BUHFOSPRSA-N
XLogP5.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
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'}

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Related Compounds

1-butyl-4-[(E)-2-[4-(4-propylcyclohexyl)cyclohexyl]ethenyl]cyclohexane
CID 139659740
3-(4-propylcyclohexyl)prop-2-enenitrile
CID 54536266
3-[4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexyl]prop-2-enenitrile
CID 67589827
1,3,6-trimethyl-9-propylcycloundecane
CID 123524783
1-methyl-4-(4-propylcyclohexyl)cyclohexane
CID 543958
1-(2,2-difluoroethenyl)-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexane
CID 22011587
1-[(E)-prop-1-enyl]-4-[(4-propylcyclohexyl)methyl]cyclohexane
CID 143761309
1-methyl-4-propylcycloheptane
CID 90967653
1-methyl-4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexane;molecular hydrogen
CID 158561859
1-but-1-enyl-4-[4-(4-propylcyclohexyl)but-2-enyl]cyclohexane
CID 54563730
1-prop-1-enyl-4-[(Z)-4-(4-propylcyclohexyl)but-2-enyl]cyclohexane
CID 173281372
1-but-1-enyl-4-[(Z)-4-(4-propylcyclohexyl)but-2-enyl]cyclohexane
CID 173282062

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexane?
The IUPAC name of 1-methyl-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexane (CID 143239770) is 1-methyl-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexane.
What is the SMILES notation for 1-methyl-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexane?
The canonical SMILES for 1-methyl-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexane is CCCC1CCC(/C=C/C2CCC(C)CC2)CC1.
What is the InChIKey of 1-methyl-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexane?
The InChIKey is SCPKPGWJOZUYHV-BUHFOSPRSA-N. The full InChI is InChI=1S/C18H32/c1-3-4-16-9-11-18(12-10-16)14-13-17-7-5-15(2)6-8-17/h13-18H,3-12H2,1-2H3/b14-13+.
What are the key properties of 1-methyl-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexane?
1-methyl-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexane has a molecular weight of 248.45 g/mol, XLogP of 5.98, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(E)-2-(4-propylcyclohexyl)ethenyl]cyclohexane is sourced from PubChem (CID 143239770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).