1-(1-cyclopropylethenyl)-1-methylcyclohexane

C12H20 — CID 121011402

IUPAC1-(1-cyclopropylethenyl)-1-methylcyclohexane
SMILESC=C(C1CC1)C1(C)CCCCC1
InChIInChI=1S/C12H20/c1-10(11-6-7-11)12(2)8-4-3-5-9-12/h11H,1,3-9H2,2H3
InChIKeyOASULJZBTRJCRO-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.92
Rot. Bonds2

About 1-(1-cyclopropylethenyl)-1-methylcyclohexane

1-(1-cyclopropylethenyl)-1-methylcyclohexane (PubChem CID 121011402) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 1-(1-cyclopropylethenyl)-1-methylcyclohexane.

Molecular Properties

Compound Name1-(1-cyclopropylethenyl)-1-methylcyclohexane
PubChem CID121011402
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name1-(1-cyclopropylethenyl)-1-methylcyclohexane
SMILESC=C(C1CC1)C1(C)CCCCC1
InChIInChI=1S/C12H20/c1-10(11-6-7-11)12(2)8-4-3-5-9-12/h11H,1,3-9H2,2H3
InChIKeyOASULJZBTRJCRO-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.92
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-(1-cyclopropylethenyl)-1-methylcyclohexane?
The IUPAC name of 1-(1-cyclopropylethenyl)-1-methylcyclohexane (CID 121011402) is 1-(1-cyclopropylethenyl)-1-methylcyclohexane.
What is the SMILES notation for 1-(1-cyclopropylethenyl)-1-methylcyclohexane?
The canonical SMILES for 1-(1-cyclopropylethenyl)-1-methylcyclohexane is C=C(C1CC1)C1(C)CCCCC1.
What is the InChIKey of 1-(1-cyclopropylethenyl)-1-methylcyclohexane?
The InChIKey is OASULJZBTRJCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-10(11-6-7-11)12(2)8-4-3-5-9-12/h11H,1,3-9H2,2H3.
What are the key properties of 1-(1-cyclopropylethenyl)-1-methylcyclohexane?
1-(1-cyclopropylethenyl)-1-methylcyclohexane has a molecular weight of 164.29 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethenyl)-1-methylcyclohexane is sourced from PubChem (CID 121011402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).