1-ethenyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexane

C22H38 — CID 144859072

IUPAC1-ethenyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexane
SMILESC=CC1CCC(C2CCC(CC3CCC(C)CC3)CC2)CC1
InChIInChI=1S/C22H38/c1-3-18-8-12-21(13-9-18)22-14-10-20(11-15-22)16-19-6-4-17(2)5-7-19/h3,17-22H,1,4-16H2,2H3
InChIKeyIJZCYYPZNUIWRL-UHFFFAOYSA-N
MW302.55 g/mol
LogP7.00
Rot. Bonds4

About 1-ethenyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexane

1-ethenyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexane (PubChem CID 144859072) has the molecular formula C22H38 and a molecular weight of 302.55 g/mol. Its IUPAC name is 1-ethenyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexane.

Molecular Properties

Compound Name1-ethenyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexane
PubChem CID144859072
Molecular FormulaC22H38
Molecular Weight302.55 g/mol
Exact Mass302.30
IUPAC Name1-ethenyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexane
SMILESC=CC1CCC(C2CCC(CC3CCC(C)CC3)CC2)CC1
InChIInChI=1S/C22H38/c1-3-18-8-12-21(13-9-18)22-14-10-20(11-15-22)16-19-6-4-17(2)5-7-19/h3,17-22H,1,4-16H2,2H3
InChIKeyIJZCYYPZNUIWRL-UHFFFAOYSA-N
XLogP7.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.55
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-ethenyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]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

N-[4-(4-ethenylcyclohexyl)cyclohexyl]-4-methylcyclohexan-1-amine
CID 163800957
1-ethenyl-4-methylcyclohexane;molecular hydrogen
CID 142076315
ethane;ethene;1-ethenyl-4-methylcyclohexane
CID 142074855
bis(4-ethenylcyclohexyl)-(4-methylcyclohexyl)phosphane
CID 123322399
1-cyclohexyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexane
CID 159873536
1-but-3-enyl-4-(4-methylcyclohexyl)cyclohexane
CID 20683482
4-[(4-methylcyclohexyl)methyl]cyclohexane-1-carbaldehyde
CID 88960002
methane;1-methyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexane
CID 161317011
methane;1-methyl-4-[[4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]cyclohexyl]methyl]cyclohexane
CID 158911211
ethane;1-methyl-4-[(4-methylcyclohexyl)methyl]cyclohexane
CID 143714212
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-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

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexane?
The IUPAC name of 1-ethenyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexane (CID 144859072) is 1-ethenyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexane.
What is the SMILES notation for 1-ethenyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexane?
The canonical SMILES for 1-ethenyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexane is C=CC1CCC(C2CCC(CC3CCC(C)CC3)CC2)CC1.
What is the InChIKey of 1-ethenyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexane?
The InChIKey is IJZCYYPZNUIWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38/c1-3-18-8-12-21(13-9-18)22-14-10-20(11-15-22)16-19-6-4-17(2)5-7-19/h3,17-22H,1,4-16H2,2H3.
What are the key properties of 1-ethenyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexane?
1-ethenyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexane has a molecular weight of 302.55 g/mol, XLogP of 7.00, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-[4-[(4-methylcyclohexyl)methyl]cyclohexyl]cyclohexane is sourced from PubChem (CID 144859072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).