3-methyl-1-(2-methylpropyl)cyclohex-2-en-1-ol

C11H20O — CID 12738600

IUPAC3-methyl-1-(2-methylpropyl)cyclohex-2-en-1-ol
SMILESCC1=CC(O)(CC(C)C)CCC1
InChIInChI=1S/C11H20O/c1-9(2)7-11(12)6-4-5-10(3)8-11/h8-9,12H,4-7H2,1-3H3
InChIKeyBVWOOYLBJMWJLW-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.89
Rot. Bonds2

About 3-methyl-1-(2-methylpropyl)cyclohex-2-en-1-ol

3-methyl-1-(2-methylpropyl)cyclohex-2-en-1-ol (PubChem CID 12738600) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 3-methyl-1-(2-methylpropyl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name3-methyl-1-(2-methylpropyl)cyclohex-2-en-1-ol
PubChem CID12738600
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name3-methyl-1-(2-methylpropyl)cyclohex-2-en-1-ol
SMILESCC1=CC(O)(CC(C)C)CCC1
InChIInChI=1S/C11H20O/c1-9(2)7-11(12)6-4-5-10(3)8-11/h8-9,12H,4-7H2,1-3H3
InChIKeyBVWOOYLBJMWJLW-UHFFFAOYSA-N
XLogP2.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3-methyl-1-(2-methylpropyl)cyclohex-2-en-1-ol?
The IUPAC name of 3-methyl-1-(2-methylpropyl)cyclohex-2-en-1-ol (CID 12738600) is 3-methyl-1-(2-methylpropyl)cyclohex-2-en-1-ol.
What is the SMILES notation for 3-methyl-1-(2-methylpropyl)cyclohex-2-en-1-ol?
The canonical SMILES for 3-methyl-1-(2-methylpropyl)cyclohex-2-en-1-ol is CC1=CC(O)(CC(C)C)CCC1.
What is the InChIKey of 3-methyl-1-(2-methylpropyl)cyclohex-2-en-1-ol?
The InChIKey is BVWOOYLBJMWJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-9(2)7-11(12)6-4-5-10(3)8-11/h8-9,12H,4-7H2,1-3H3.
What are the key properties of 3-methyl-1-(2-methylpropyl)cyclohex-2-en-1-ol?
3-methyl-1-(2-methylpropyl)cyclohex-2-en-1-ol has a molecular weight of 168.28 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methylpropyl)cyclohex-2-en-1-ol is sourced from PubChem (CID 12738600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).