2-(2,2-dimethylpropyl)-4-methylcyclohexan-1-ol

C12H24O — CID 58331735

IUPAC2-(2,2-dimethylpropyl)-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)C(CC(C)(C)C)C1
InChIInChI=1S/C12H24O/c1-9-5-6-11(13)10(7-9)8-12(2,3)4/h9-11,13H,5-8H2,1-4H3
InChIKeyTWYPXLBBTODJIC-UHFFFAOYSA-N
MW184.32 g/mol
LogP3.22
Rot. Bonds1

About 2-(2,2-dimethylpropyl)-4-methylcyclohexan-1-ol

2-(2,2-dimethylpropyl)-4-methylcyclohexan-1-ol (PubChem CID 58331735) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-4-methylcyclohexan-1-ol.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-4-methylcyclohexan-1-ol
PubChem CID58331735
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Name2-(2,2-dimethylpropyl)-4-methylcyclohexan-1-ol
SMILESCC1CCC(O)C(CC(C)(C)C)C1
InChIInChI=1S/C12H24O/c1-9-5-6-11(13)10(7-9)8-12(2,3)4/h9-11,13H,5-8H2,1-4H3
InChIKeyTWYPXLBBTODJIC-UHFFFAOYSA-N
XLogP3.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-4-methylcyclohexan-1-ol?
The IUPAC name of 2-(2,2-dimethylpropyl)-4-methylcyclohexan-1-ol (CID 58331735) is 2-(2,2-dimethylpropyl)-4-methylcyclohexan-1-ol.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-4-methylcyclohexan-1-ol?
The canonical SMILES for 2-(2,2-dimethylpropyl)-4-methylcyclohexan-1-ol is CC1CCC(O)C(CC(C)(C)C)C1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-4-methylcyclohexan-1-ol?
The InChIKey is TWYPXLBBTODJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O/c1-9-5-6-11(13)10(7-9)8-12(2,3)4/h9-11,13H,5-8H2,1-4H3.
What are the key properties of 2-(2,2-dimethylpropyl)-4-methylcyclohexan-1-ol?
2-(2,2-dimethylpropyl)-4-methylcyclohexan-1-ol has a molecular weight of 184.32 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-4-methylcyclohexan-1-ol is sourced from PubChem (CID 58331735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).