2,6-dimethyl-3-(2-methylprop-1-enyl)cyclohexan-1-ol

C12H22O — CID 58534469

IUPAC2,6-dimethyl-3-(2-methylprop-1-enyl)cyclohexan-1-ol
SMILESCC(C)=CC1CCC(C)C(O)C1C
InChIInChI=1S/C12H22O/c1-8(2)7-11-6-5-9(3)12(13)10(11)4/h7,9-13H,5-6H2,1-4H3
InChIKeyAHYMBKBNXCWIJE-UHFFFAOYSA-N
MW182.31 g/mol
LogP3.00
Rot. Bonds1

About 2,6-dimethyl-3-(2-methylprop-1-enyl)cyclohexan-1-ol

2,6-dimethyl-3-(2-methylprop-1-enyl)cyclohexan-1-ol (PubChem CID 58534469) has the molecular formula C12H22O and a molecular weight of 182.31 g/mol. Its IUPAC name is 2,6-dimethyl-3-(2-methylprop-1-enyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2,6-dimethyl-3-(2-methylprop-1-enyl)cyclohexan-1-ol
PubChem CID58534469
Molecular FormulaC12H22O
Molecular Weight182.31 g/mol
Exact Mass182.17
IUPAC Name2,6-dimethyl-3-(2-methylprop-1-enyl)cyclohexan-1-ol
SMILESCC(C)=CC1CCC(C)C(O)C1C
InChIInChI=1S/C12H22O/c1-8(2)7-11-6-5-9(3)12(13)10(11)4/h7,9-13H,5-6H2,1-4H3
InChIKeyAHYMBKBNXCWIJE-UHFFFAOYSA-N
XLogP3.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.00
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 2,6-dimethyl-3-(2-methylprop-1-enyl)cyclohexan-1-ol?
The IUPAC name of 2,6-dimethyl-3-(2-methylprop-1-enyl)cyclohexan-1-ol (CID 58534469) is 2,6-dimethyl-3-(2-methylprop-1-enyl)cyclohexan-1-ol.
What is the SMILES notation for 2,6-dimethyl-3-(2-methylprop-1-enyl)cyclohexan-1-ol?
The canonical SMILES for 2,6-dimethyl-3-(2-methylprop-1-enyl)cyclohexan-1-ol is CC(C)=CC1CCC(C)C(O)C1C.
What is the InChIKey of 2,6-dimethyl-3-(2-methylprop-1-enyl)cyclohexan-1-ol?
The InChIKey is AHYMBKBNXCWIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O/c1-8(2)7-11-6-5-9(3)12(13)10(11)4/h7,9-13H,5-6H2,1-4H3.
What are the key properties of 2,6-dimethyl-3-(2-methylprop-1-enyl)cyclohexan-1-ol?
2,6-dimethyl-3-(2-methylprop-1-enyl)cyclohexan-1-ol has a molecular weight of 182.31 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-(2-methylprop-1-enyl)cyclohexan-1-ol is sourced from PubChem (CID 58534469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).