(3R,5S,6R)-5-methoxy-6-methylcyclohexene-1,3-diol

C8H14O3 — CID 163758865

IUPAC(3R,5S,6R)-5-methoxy-6-methylcyclohexene-1,3-diol
SMILESCO[C@H]1C[C@@H](O)C=C(O)[C@@H]1C
InChIInChI=1S/C8H14O3/c1-5-7(10)3-6(9)4-8(5)11-2/h3,5-6,8-10H,4H2,1-2H3/t5-,6-,8-/m0/s1
InChIKeyLWLBNWDLFQSBKO-HAFWLYHUSA-N
MW158.20 g/mol
LogP0.84
Rot. Bonds1

About (3R,5S,6R)-5-methoxy-6-methylcyclohexene-1,3-diol

(3R,5S,6R)-5-methoxy-6-methylcyclohexene-1,3-diol (PubChem CID 163758865) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is (3R,5S,6R)-5-methoxy-6-methylcyclohexene-1,3-diol.

Molecular Properties

Compound Name(3R,5S,6R)-5-methoxy-6-methylcyclohexene-1,3-diol
PubChem CID163758865
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name(3R,5S,6R)-5-methoxy-6-methylcyclohexene-1,3-diol
SMILESCO[C@H]1C[C@@H](O)C=C(O)[C@@H]1C
InChIInChI=1S/C8H14O3/c1-5-7(10)3-6(9)4-8(5)11-2/h3,5-6,8-10H,4H2,1-2H3/t5-,6-,8-/m0/s1
InChIKeyLWLBNWDLFQSBKO-HAFWLYHUSA-N
XLogP0.84
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R,5S,6R)-5-methoxy-6-methylcyclohexene-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,5S,6R)-5-methoxy-6-methylcyclohexene-1,3-diol?
The IUPAC name of (3R,5S,6R)-5-methoxy-6-methylcyclohexene-1,3-diol (CID 163758865) is (3R,5S,6R)-5-methoxy-6-methylcyclohexene-1,3-diol.
What is the SMILES notation for (3R,5S,6R)-5-methoxy-6-methylcyclohexene-1,3-diol?
The canonical SMILES for (3R,5S,6R)-5-methoxy-6-methylcyclohexene-1,3-diol is CO[C@H]1C[C@@H](O)C=C(O)[C@@H]1C.
What is the InChIKey of (3R,5S,6R)-5-methoxy-6-methylcyclohexene-1,3-diol?
The InChIKey is LWLBNWDLFQSBKO-HAFWLYHUSA-N. The full InChI is InChI=1S/C8H14O3/c1-5-7(10)3-6(9)4-8(5)11-2/h3,5-6,8-10H,4H2,1-2H3/t5-,6-,8-/m0/s1.
What are the key properties of (3R,5S,6R)-5-methoxy-6-methylcyclohexene-1,3-diol?
(3R,5S,6R)-5-methoxy-6-methylcyclohexene-1,3-diol has a molecular weight of 158.20 g/mol, XLogP of 0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S,6R)-5-methoxy-6-methylcyclohexene-1,3-diol is sourced from PubChem (CID 163758865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).