2,5-dimethylcyclohexane-1,1-diol

C8H16O2 — CID 147718738

IUPAC2,5-dimethylcyclohexane-1,1-diol
SMILESCC1CCC(C)C(O)(O)C1
InChIInChI=1S/C8H16O2/c1-6-3-4-7(2)8(9,10)5-6/h6-7,9-10H,3-5H2,1-2H3
InChIKeyGWDMAELKUBFNPY-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.12
Rot. Bonds

About 2,5-dimethylcyclohexane-1,1-diol

2,5-dimethylcyclohexane-1,1-diol (PubChem CID 147718738) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 2,5-dimethylcyclohexane-1,1-diol.

Molecular Properties

Compound Name2,5-dimethylcyclohexane-1,1-diol
PubChem CID147718738
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name2,5-dimethylcyclohexane-1,1-diol
SMILESCC1CCC(C)C(O)(O)C1
InChIInChI=1S/C8H16O2/c1-6-3-4-7(2)8(9,10)5-6/h6-7,9-10H,3-5H2,1-2H3
InChIKeyGWDMAELKUBFNPY-UHFFFAOYSA-N
XLogP1.12
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-methylcyclopropane-1,1-diol
CID 68932442
5-methyl-2-prop-1-en-2-ylcyclohexane-1,1-diol
CID 21492161
(1R,2S,5R)-2,5-dimethyl-1-phenylcyclohexan-1-ol
CID 124672757
(2R)-1,1-difluoro-2,5-dimethylcyclohexane
CID 59909083
1-(3,5-difluorophenyl)-2,5-dimethylcyclohexan-1-ol
CID 64753777
1-(4-chlorophenyl)-2,5-dimethylcyclohexan-1-ol
CID 64755424
2,5,11,14-tetramethyl-7,8,15,16-tetraoxadispiro[5.2.59.26]hexadecane
CID 10469126
2,5-dimethyl-1-(1,2-thiazol-4-yl)cyclohexan-1-ol
CID 164648580
1-(3,4-dichlorophenyl)-2,5-dimethylcyclohexan-1-ol
CID 64755423
2,5-dimethyl-1-(propan-2-yloxymethyl)cyclohexan-1-ol
CID 79568097
2,5-dimethyl-1-propan-2-ylcyclohexan-1-amine
CID 64761587
1-ethyl-1,2,5-trimethylcyclohexane
CID 123642131

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylcyclohexane-1,1-diol?
The IUPAC name of 2,5-dimethylcyclohexane-1,1-diol (CID 147718738) is 2,5-dimethylcyclohexane-1,1-diol.
What is the SMILES notation for 2,5-dimethylcyclohexane-1,1-diol?
The canonical SMILES for 2,5-dimethylcyclohexane-1,1-diol is CC1CCC(C)C(O)(O)C1.
What is the InChIKey of 2,5-dimethylcyclohexane-1,1-diol?
The InChIKey is GWDMAELKUBFNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-6-3-4-7(2)8(9,10)5-6/h6-7,9-10H,3-5H2,1-2H3.
What are the key properties of 2,5-dimethylcyclohexane-1,1-diol?
2,5-dimethylcyclohexane-1,1-diol has a molecular weight of 144.21 g/mol, XLogP of 1.12, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylcyclohexane-1,1-diol is sourced from PubChem (CID 147718738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).