1,2,4-tris(ethenyl)-5-methylcyclohexane

C13H20 — CID 91133944

IUPAC1,2,4-tris(ethenyl)-5-methylcyclohexane
SMILESC=CC1CC(C=C)C(C=C)CC1C
InChIInChI=1S/C13H20/c1-5-11-9-13(7-3)12(6-2)8-10(11)4/h5-7,10-13H,1-3,8-9H2,4H3
InChIKeySMHMZMZMHQOCAV-UHFFFAOYSA-N
MW176.30 g/mol
LogP3.82
Rot. Bonds3

About 1,2,4-tris(ethenyl)-5-methylcyclohexane

1,2,4-tris(ethenyl)-5-methylcyclohexane (PubChem CID 91133944) has the molecular formula C13H20 and a molecular weight of 176.30 g/mol. Its IUPAC name is 1,2,4-tris(ethenyl)-5-methylcyclohexane.

Molecular Properties

Compound Name1,2,4-tris(ethenyl)-5-methylcyclohexane
PubChem CID91133944
Molecular FormulaC13H20
Molecular Weight176.30 g/mol
Exact Mass176.16
IUPAC Name1,2,4-tris(ethenyl)-5-methylcyclohexane
SMILESC=CC1CC(C=C)C(C=C)CC1C
InChIInChI=1S/C13H20/c1-5-11-9-13(7-3)12(6-2)8-10(11)4/h5-7,10-13H,1-3,8-9H2,4H3
InChIKeySMHMZMZMHQOCAV-UHFFFAOYSA-N
XLogP3.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.30
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,2,4-tris(ethenyl)-5-methylcyclohexane 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

2-ethenyl-3-methyl-1,2,3,4,4a,8a-hexahydronaphthalene
CID 142195089
cis-(1R,2S)-1-(2-deuterioethenyl)-2-methylcyclopropane
CID 16698025
1,3-bis(ethenyl)-5-methyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 162270602
ethane;2-ethenyl-3-methyl-1,2,3,4,4a,8a-hexahydronaphthalene;methanol
CID 142195088
2,4-bis(ethenyl)bicyclo[3.1.0]hexane
CID 157434965
1-(3,3-dimethylbut-1-enyl)-2-ethenyl-4-methylcyclopentane
CID 123506787
1-ethenyl-2-pent-1-enylcyclopropane
CID 123214282
1-ethenyl-3-[2-(3-methyl-1,2,3,3a,4,6a-hexahydropentalen-1-yl)ethenyl]-1,2,3,3a,4,6a-hexahydropentalene
CID 161165849
2-ethenyl-4-methylcyclopentan-1-ol
CID 142139319
2,4,5-tris(ethenyl)cycloheptan-1-amine
CID 123552127
1-ethenyl-2-hexa-1,3-dienylcyclopropane
CID 556411
cis-(1S,2S)-1-hexa-1,2,5-trienyl-2-methylcyclopropane
CID 101148448

Frequently Asked Questions

What is the IUPAC name of 1,2,4-tris(ethenyl)-5-methylcyclohexane?
The IUPAC name of 1,2,4-tris(ethenyl)-5-methylcyclohexane (CID 91133944) is 1,2,4-tris(ethenyl)-5-methylcyclohexane.
What is the SMILES notation for 1,2,4-tris(ethenyl)-5-methylcyclohexane?
The canonical SMILES for 1,2,4-tris(ethenyl)-5-methylcyclohexane is C=CC1CC(C=C)C(C=C)CC1C.
What is the InChIKey of 1,2,4-tris(ethenyl)-5-methylcyclohexane?
The InChIKey is SMHMZMZMHQOCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20/c1-5-11-9-13(7-3)12(6-2)8-10(11)4/h5-7,10-13H,1-3,8-9H2,4H3.
What are the key properties of 1,2,4-tris(ethenyl)-5-methylcyclohexane?
1,2,4-tris(ethenyl)-5-methylcyclohexane has a molecular weight of 176.30 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-tris(ethenyl)-5-methylcyclohexane is sourced from PubChem (CID 91133944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).