1-methyl-1-(2-methylprop-2-enyl)cyclohexane

C11H20 — CID 23579805

IUPAC1-methyl-1-(2-methylprop-2-enyl)cyclohexane
SMILESC=C(C)CC1(C)CCCCC1
InChIInChI=1S/C11H20/c1-10(2)9-11(3)7-5-4-6-8-11/h1,4-9H2,2-3H3
InChIKeyVKKJZUOFPOPNRH-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.92
Rot. Bonds2

About 1-methyl-1-(2-methylprop-2-enyl)cyclohexane

1-methyl-1-(2-methylprop-2-enyl)cyclohexane (PubChem CID 23579805) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 1-methyl-1-(2-methylprop-2-enyl)cyclohexane.

Molecular Properties

Compound Name1-methyl-1-(2-methylprop-2-enyl)cyclohexane
PubChem CID23579805
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name1-methyl-1-(2-methylprop-2-enyl)cyclohexane
SMILESC=C(C)CC1(C)CCCCC1
InChIInChI=1S/C11H20/c1-10(2)9-11(3)7-5-4-6-8-11/h1,4-9H2,2-3H3
InChIKeyVKKJZUOFPOPNRH-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
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-methyl-1-(2-methylprop-2-enyl)cyclohexane?
The IUPAC name of 1-methyl-1-(2-methylprop-2-enyl)cyclohexane (CID 23579805) is 1-methyl-1-(2-methylprop-2-enyl)cyclohexane.
What is the SMILES notation for 1-methyl-1-(2-methylprop-2-enyl)cyclohexane?
The canonical SMILES for 1-methyl-1-(2-methylprop-2-enyl)cyclohexane is C=C(C)CC1(C)CCCCC1.
What is the InChIKey of 1-methyl-1-(2-methylprop-2-enyl)cyclohexane?
The InChIKey is VKKJZUOFPOPNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-10(2)9-11(3)7-5-4-6-8-11/h1,4-9H2,2-3H3.
What are the key properties of 1-methyl-1-(2-methylprop-2-enyl)cyclohexane?
1-methyl-1-(2-methylprop-2-enyl)cyclohexane has a molecular weight of 152.28 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-methyl-1-(2-methylprop-2-enyl)cyclohexane is sourced from PubChem (CID 23579805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).