2,5-dimethyl-1-(propan-2-yloxymethyl)cyclohexan-1-ol

C12H24O2 — CID 79568097

IUPAC2,5-dimethyl-1-(propan-2-yloxymethyl)cyclohexan-1-ol
SMILESCC1CCC(C)C(O)(COC(C)C)C1
InChIInChI=1S/C12H24O2/c1-9(2)14-8-12(13)7-10(3)5-6-11(12)4/h9-11,13H,5-8H2,1-4H3
InChIKeyHNLHLYUOMNGIOD-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.60
Rot. Bonds3

About 2,5-dimethyl-1-(propan-2-yloxymethyl)cyclohexan-1-ol

2,5-dimethyl-1-(propan-2-yloxymethyl)cyclohexan-1-ol (PubChem CID 79568097) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 2,5-dimethyl-1-(propan-2-yloxymethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2,5-dimethyl-1-(propan-2-yloxymethyl)cyclohexan-1-ol
PubChem CID79568097
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name2,5-dimethyl-1-(propan-2-yloxymethyl)cyclohexan-1-ol
SMILESCC1CCC(C)C(O)(COC(C)C)C1
InChIInChI=1S/C12H24O2/c1-9(2)14-8-12(13)7-10(3)5-6-11(12)4/h9-11,13H,5-8H2,1-4H3
InChIKeyHNLHLYUOMNGIOD-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(propan-2-yloxymethyl)cyclopentan-1-ol
CID 79568095
2,5-dimethyl-1-(4-methylpentyl)cyclohexan-1-ol
CID 83158284
2,5-dimethyl-3-(propan-2-yloxymethyl)oxolan-3-ol
CID 127015507
3-methyl-4-(propan-2-yloxymethyl)piperidin-4-ol
CID 114501859
1-(hydroxymethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 19844421
2,5-dimethylcyclohexane-1,1-diol
CID 147718738
1-(propan-2-yloxymethyl)-4-propylcyclohexan-1-ol
CID 79568462
4-amino-1-(propan-2-yloxymethyl)cyclohexan-1-ol
CID 59401509
3-(2-methylpropyl)-1-(propan-2-yloxymethyl)cyclohexan-1-ol
CID 107429669
1-[(tert-butylamino)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 62772775
1-(propan-2-yloxymethyl)bicyclo[1.1.1]pentane
CID 170521217
(1S,2S,5R)-5-methyl-2-propan-2-yl-1-prop-2-enylcyclohexan-1-ol
CID 11401335

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(propan-2-yloxymethyl)cyclohexan-1-ol?
The IUPAC name of 2,5-dimethyl-1-(propan-2-yloxymethyl)cyclohexan-1-ol (CID 79568097) is 2,5-dimethyl-1-(propan-2-yloxymethyl)cyclohexan-1-ol.
What is the SMILES notation for 2,5-dimethyl-1-(propan-2-yloxymethyl)cyclohexan-1-ol?
The canonical SMILES for 2,5-dimethyl-1-(propan-2-yloxymethyl)cyclohexan-1-ol is CC1CCC(C)C(O)(COC(C)C)C1.
What is the InChIKey of 2,5-dimethyl-1-(propan-2-yloxymethyl)cyclohexan-1-ol?
The InChIKey is HNLHLYUOMNGIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-9(2)14-8-12(13)7-10(3)5-6-11(12)4/h9-11,13H,5-8H2,1-4H3.
What are the key properties of 2,5-dimethyl-1-(propan-2-yloxymethyl)cyclohexan-1-ol?
2,5-dimethyl-1-(propan-2-yloxymethyl)cyclohexan-1-ol has a molecular weight of 200.32 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(propan-2-yloxymethyl)cyclohexan-1-ol is sourced from PubChem (CID 79568097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).