(1R,3R,4R,6R)-4,6-dimethylcyclohexane-1,3-diol

C8H16O2 — CID 131177200

IUPAC(1R,3R,4R,6R)-4,6-dimethylcyclohexane-1,3-diol
SMILESC[C@@H]1C[C@@H](C)[C@H](O)C[C@H]1O
InChIInChI=1S/C8H16O2/c1-5-3-6(2)8(10)4-7(5)9/h5-10H,3-4H2,1-2H3/t5-,6-,7-,8-/m1/s1
InChIKeyWGXSWJYIAWIGBQ-WCTZXXKLSA-N
MW144.21 g/mol
LogP0.77
Rot. Bonds

About (1R,3R,4R,6R)-4,6-dimethylcyclohexane-1,3-diol

(1R,3R,4R,6R)-4,6-dimethylcyclohexane-1,3-diol (PubChem CID 131177200) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is (1R,3R,4R,6R)-4,6-dimethylcyclohexane-1,3-diol.

Molecular Properties

Compound Name(1R,3R,4R,6R)-4,6-dimethylcyclohexane-1,3-diol
PubChem CID131177200
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name(1R,3R,4R,6R)-4,6-dimethylcyclohexane-1,3-diol
SMILESC[C@@H]1C[C@@H](C)[C@H](O)C[C@H]1O
InChIInChI=1S/C8H16O2/c1-5-3-6(2)8(10)4-7(5)9/h5-10H,3-4H2,1-2H3/t5-,6-,7-,8-/m1/s1
InChIKeyWGXSWJYIAWIGBQ-WCTZXXKLSA-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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Frequently Asked Questions

What is the IUPAC name of (1R,3R,4R,6R)-4,6-dimethylcyclohexane-1,3-diol?
The IUPAC name of (1R,3R,4R,6R)-4,6-dimethylcyclohexane-1,3-diol (CID 131177200) is (1R,3R,4R,6R)-4,6-dimethylcyclohexane-1,3-diol.
What is the SMILES notation for (1R,3R,4R,6R)-4,6-dimethylcyclohexane-1,3-diol?
The canonical SMILES for (1R,3R,4R,6R)-4,6-dimethylcyclohexane-1,3-diol is C[C@@H]1C[C@@H](C)[C@H](O)C[C@H]1O.
What is the InChIKey of (1R,3R,4R,6R)-4,6-dimethylcyclohexane-1,3-diol?
The InChIKey is WGXSWJYIAWIGBQ-WCTZXXKLSA-N. The full InChI is InChI=1S/C8H16O2/c1-5-3-6(2)8(10)4-7(5)9/h5-10H,3-4H2,1-2H3/t5-,6-,7-,8-/m1/s1.
What are the key properties of (1R,3R,4R,6R)-4,6-dimethylcyclohexane-1,3-diol?
(1R,3R,4R,6R)-4,6-dimethylcyclohexane-1,3-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 (1R,3R,4R,6R)-4,6-dimethylcyclohexane-1,3-diol is sourced from PubChem (CID 131177200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).