1-ethenyl-1-methyl-2-prop-1-en-2-ylcyclohexane

C12H20 — CID 71442468

IUPAC1-ethenyl-1-methyl-2-prop-1-en-2-ylcyclohexane
SMILESC=CC1(C)CCCCC1C(=C)C
InChIInChI=1S/C12H20/c1-5-12(4)9-7-6-8-11(12)10(2)3/h5,11H,1-2,6-9H2,3-4H3
InChIKeyGSWMWHMVBGZMEZ-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.94
Rot. Bonds2

About 1-ethenyl-1-methyl-2-prop-1-en-2-ylcyclohexane

1-ethenyl-1-methyl-2-prop-1-en-2-ylcyclohexane (PubChem CID 71442468) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 1-ethenyl-1-methyl-2-prop-1-en-2-ylcyclohexane.

Molecular Properties

Compound Name1-ethenyl-1-methyl-2-prop-1-en-2-ylcyclohexane
PubChem CID71442468
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name1-ethenyl-1-methyl-2-prop-1-en-2-ylcyclohexane
SMILESC=CC1(C)CCCCC1C(=C)C
InChIInChI=1S/C12H20/c1-5-12(4)9-7-6-8-11(12)10(2)3/h5,11H,1-2,6-9H2,3-4H3
InChIKeyGSWMWHMVBGZMEZ-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
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-ethenyl-1-methyl-2-prop-1-en-2-ylcyclohexane?
The IUPAC name of 1-ethenyl-1-methyl-2-prop-1-en-2-ylcyclohexane (CID 71442468) is 1-ethenyl-1-methyl-2-prop-1-en-2-ylcyclohexane.
What is the SMILES notation for 1-ethenyl-1-methyl-2-prop-1-en-2-ylcyclohexane?
The canonical SMILES for 1-ethenyl-1-methyl-2-prop-1-en-2-ylcyclohexane is C=CC1(C)CCCCC1C(=C)C.
What is the InChIKey of 1-ethenyl-1-methyl-2-prop-1-en-2-ylcyclohexane?
The InChIKey is GSWMWHMVBGZMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20/c1-5-12(4)9-7-6-8-11(12)10(2)3/h5,11H,1-2,6-9H2,3-4H3.
What are the key properties of 1-ethenyl-1-methyl-2-prop-1-en-2-ylcyclohexane?
1-ethenyl-1-methyl-2-prop-1-en-2-ylcyclohexane has a molecular weight of 164.29 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-1-methyl-2-prop-1-en-2-ylcyclohexane is sourced from PubChem (CID 71442468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).