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'}

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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).