2,2-dimethyl-1-(propan-2-yloxymethyl)cyclohexan-1-ol

C12H24O2 — CID 79847451

IUPAC2,2-dimethyl-1-(propan-2-yloxymethyl)cyclohexan-1-ol
SMILESCC(C)OCC1(O)CCCCC1(C)C
InChIInChI=1S/C12H24O2/c1-10(2)14-9-12(13)8-6-5-7-11(12,3)4/h10,13H,5-9H2,1-4H3
InChIKeyWGYZVHUTFLVGJY-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.74
Rot. Bonds3

About 2,2-dimethyl-1-(propan-2-yloxymethyl)cyclohexan-1-ol

2,2-dimethyl-1-(propan-2-yloxymethyl)cyclohexan-1-ol (PubChem CID 79847451) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 2,2-dimethyl-1-(propan-2-yloxymethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-(propan-2-yloxymethyl)cyclohexan-1-ol
PubChem CID79847451
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name2,2-dimethyl-1-(propan-2-yloxymethyl)cyclohexan-1-ol
SMILESCC(C)OCC1(O)CCCCC1(C)C
InChIInChI=1S/C12H24O2/c1-10(2)14-9-12(13)8-6-5-7-11(12,3)4/h10,13H,5-9H2,1-4H3
InChIKeyWGYZVHUTFLVGJY-UHFFFAOYSA-N
XLogP2.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(hydroxymethyl)-2,2-dimethylcyclohexan-1-ol
CID 45083258
1-(chloromethyl)-1-(propan-2-yloxymethyl)cyclopentane
CID 165446225
1-(2-ethylbutyl)-2,2-dimethylcyclohexan-1-ol
CID 82929225
1,1-bis(propan-2-yloxymethyl)cyclobutane
CID 141062345
1-propan-2-yl-4-(propan-2-yloxymethyl)piperidin-4-ol
CID 79567229
3,3,5,5-tetramethyl-1-(propan-2-yloxymethyl)cyclohexan-1-ol
CID 112682700
1-(2-ethylbutyl)-2,2-dimethylcyclopentan-1-ol
CID 82929328
2-[(1-hydroxy-2,2-dimethylcyclopentyl)methyl]-1-propan-2-ylguanidine
CID 122096412
2-propan-2-yl-2-(propan-2-yloxymethyl)azepane
CID 79569057
1-(1-methylcyclohexyl)-2-propan-2-yloxyethanol
CID 106830958
4-amino-1-(propan-2-yloxymethyl)cyclohexan-1-ol
CID 59401509
(3S)-3-fluoro-1-methyl-3-(propan-2-yloxymethyl)piperidine
CID 147142299

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(propan-2-yloxymethyl)cyclohexan-1-ol?
The IUPAC name of 2,2-dimethyl-1-(propan-2-yloxymethyl)cyclohexan-1-ol (CID 79847451) is 2,2-dimethyl-1-(propan-2-yloxymethyl)cyclohexan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-(propan-2-yloxymethyl)cyclohexan-1-ol?
The canonical SMILES for 2,2-dimethyl-1-(propan-2-yloxymethyl)cyclohexan-1-ol is CC(C)OCC1(O)CCCCC1(C)C.
What is the InChIKey of 2,2-dimethyl-1-(propan-2-yloxymethyl)cyclohexan-1-ol?
The InChIKey is WGYZVHUTFLVGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-10(2)14-9-12(13)8-6-5-7-11(12,3)4/h10,13H,5-9H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-(propan-2-yloxymethyl)cyclohexan-1-ol?
2,2-dimethyl-1-(propan-2-yloxymethyl)cyclohexan-1-ol has a molecular weight of 200.32 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(propan-2-yloxymethyl)cyclohexan-1-ol is sourced from PubChem (CID 79847451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).