4,5-dimethylcyclohexane-1,2-diol

C8H16O2 — CID 13429582

IUPAC4,5-dimethylcyclohexane-1,2-diol
SMILESCC1CC(O)C(O)CC1C
InChIInChI=1S/C8H16O2/c1-5-3-7(9)8(10)4-6(5)2/h5-10H,3-4H2,1-2H3
InChIKeyOTVUTURDABHMCC-UHFFFAOYSA-N
MW144.21 g/mol
LogP0.77
Rot. Bonds

About 4,5-dimethylcyclohexane-1,2-diol

4,5-dimethylcyclohexane-1,2-diol (PubChem CID 13429582) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 4,5-dimethylcyclohexane-1,2-diol.

Molecular Properties

Compound Name4,5-dimethylcyclohexane-1,2-diol
PubChem CID13429582
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name4,5-dimethylcyclohexane-1,2-diol
SMILESCC1CC(O)C(O)CC1C
InChIInChI=1S/C8H16O2/c1-5-3-7(9)8(10)4-6(5)2/h5-10H,3-4H2,1-2H3
InChIKeyOTVUTURDABHMCC-UHFFFAOYSA-N
XLogP0.77
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 ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-2-methylcyclopropan-1-ol
CID 13410812
2-(1-hydroxyethyl)-4,5-dimethylcyclohexan-1-ol
CID 23443116
2-amino-4,5-dimethylcyclohexan-1-ol
CID 13425492
trans-(1R,2R)-cyclopropane-1,2-diol
CID 59075452
2-butan-2-yl-4,5-dimethylcyclohexan-1-ol
CID 58534205
(1S,2S,3R,4S,5R)-5-methylcyclohexane-1,2,3,4-tetrol
CID 14158486
(1R,3R,4R,6R)-4,6-dimethylcyclohexane-1,3-diol
CID 131177200
(1S,2S,4S,5S)-cyclohexane-1,2,4,5-tetrol
CID 10855621
(1S)-2-methyl-5-propan-2-ylcyclohexane-1,4-diol
CID 91437445
2-(2-hydroxypropan-2-yl)-5-methylcyclohexane-1,4-diol
CID 85106753
cis-(2R,5R)-2-methyl-5-propan-2-ylcyclohexane-1,4-diol
CID 157009951
2,3,5-trimethyl-4-propan-2-ylcyclohexan-1-ol
CID 58534517

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethylcyclohexane-1,2-diol?
The IUPAC name of 4,5-dimethylcyclohexane-1,2-diol (CID 13429582) is 4,5-dimethylcyclohexane-1,2-diol.
What is the SMILES notation for 4,5-dimethylcyclohexane-1,2-diol?
The canonical SMILES for 4,5-dimethylcyclohexane-1,2-diol is CC1CC(O)C(O)CC1C.
What is the InChIKey of 4,5-dimethylcyclohexane-1,2-diol?
The InChIKey is OTVUTURDABHMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-5-3-7(9)8(10)4-6(5)2/h5-10H,3-4H2,1-2H3.
What are the key properties of 4,5-dimethylcyclohexane-1,2-diol?
4,5-dimethylcyclohexane-1,2-diol has a molecular weight of 144.21 g/mol, XLogP of 0.77, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylcyclohexane-1,2-diol is sourced from PubChem (CID 13429582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).