(1R,2R,6R)-6-(2-hydroxypropan-2-yl)-3-methylcyclohex-3-ene-1,2-diol

C10H18O3 — CID 131133945

IUPAC(1R,2R,6R)-6-(2-hydroxypropan-2-yl)-3-methylcyclohex-3-ene-1,2-diol
SMILESCC1=CC[C@@H](C(C)(C)O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H18O3/c1-6-4-5-7(10(2,3)13)9(12)8(6)11/h4,7-9,11-13H,5H2,1-3H3/t7-,8-,9-/m1/s1
InChIKeyCZGJXWCPWCMKBM-IWSPIJDZSA-N
MW186.25 g/mol
LogP0.45
Rot. Bonds1

About (1R,2R,6R)-6-(2-hydroxypropan-2-yl)-3-methylcyclohex-3-ene-1,2-diol

(1R,2R,6R)-6-(2-hydroxypropan-2-yl)-3-methylcyclohex-3-ene-1,2-diol (PubChem CID 131133945) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (1R,2R,6R)-6-(2-hydroxypropan-2-yl)-3-methylcyclohex-3-ene-1,2-diol.

Molecular Properties

Compound Name(1R,2R,6R)-6-(2-hydroxypropan-2-yl)-3-methylcyclohex-3-ene-1,2-diol
PubChem CID131133945
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(1R,2R,6R)-6-(2-hydroxypropan-2-yl)-3-methylcyclohex-3-ene-1,2-diol
SMILESCC1=CC[C@@H](C(C)(C)O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H18O3/c1-6-4-5-7(10(2,3)13)9(12)8(6)11/h4,7-9,11-13H,5H2,1-3H3/t7-,8-,9-/m1/s1
InChIKeyCZGJXWCPWCMKBM-IWSPIJDZSA-N
XLogP0.45
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R,2R,6R)-6-(2-hydroxypropan-2-yl)-3-methylcyclohex-3-ene-1,2-diol with MolForge

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

Launch Full Analysis

Related Compounds

2-(2,3-dimethylcyclohex-3-en-1-yl)propan-2-ol
CID 118643101
2-(5-methyl-2,3-dihydrofuran-2-yl)propan-2-ol
CID 174865193
(5S)-5-(2-hydroxy-6-methylhept-5-en-2-yl)-2-methylcyclohex-2-en-1-ol
CID 134827941
5-(5-bromo-2,6,6-trimethylcyclohex-2-en-1-yl)-3-methylpent-1-en-3-ol
CID 72810966
2-(4-methylcyclohex-3-en-1-yl)propan-2-ol
CID 23186359
(1S,6R)-6-(2-hydroxypropan-2-yl)-3-methylcyclohex-2-en-1-ol
CID 6431167
(1S,2E,6S,7E,9R)-9-(2-hydroxypropan-2-yl)-2,6-dimethylcyclodeca-2,7-dien-1-ol
CID 139591588
5-(2-methoxypropan-2-yl)-2-methylcyclohex-2-en-1-ol
CID 130122942
ethane;2-(4-methylcyclohex-3-en-1-yl)propan-2-ol
CID 145316988
(3aS,7R,7aR)-6-methyl-3-methylidene-3a,4,7,7a-tetrahydro-1-benzofuran-7-ol
CID 71525224
(1S,2S,3R,4R)-5-methylcyclohex-5-ene-1,2,3,4-tetrol
CID 16749493
2-[2-(2-hydroxypropan-2-yl)cyclohexyl]propan-2-ol
CID 139609797

Frequently Asked Questions

What is the IUPAC name of (1R,2R,6R)-6-(2-hydroxypropan-2-yl)-3-methylcyclohex-3-ene-1,2-diol?
The IUPAC name of (1R,2R,6R)-6-(2-hydroxypropan-2-yl)-3-methylcyclohex-3-ene-1,2-diol (CID 131133945) is (1R,2R,6R)-6-(2-hydroxypropan-2-yl)-3-methylcyclohex-3-ene-1,2-diol.
What is the SMILES notation for (1R,2R,6R)-6-(2-hydroxypropan-2-yl)-3-methylcyclohex-3-ene-1,2-diol?
The canonical SMILES for (1R,2R,6R)-6-(2-hydroxypropan-2-yl)-3-methylcyclohex-3-ene-1,2-diol is CC1=CC[C@@H](C(C)(C)O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (1R,2R,6R)-6-(2-hydroxypropan-2-yl)-3-methylcyclohex-3-ene-1,2-diol?
The InChIKey is CZGJXWCPWCMKBM-IWSPIJDZSA-N. The full InChI is InChI=1S/C10H18O3/c1-6-4-5-7(10(2,3)13)9(12)8(6)11/h4,7-9,11-13H,5H2,1-3H3/t7-,8-,9-/m1/s1.
What are the key properties of (1R,2R,6R)-6-(2-hydroxypropan-2-yl)-3-methylcyclohex-3-ene-1,2-diol?
(1R,2R,6R)-6-(2-hydroxypropan-2-yl)-3-methylcyclohex-3-ene-1,2-diol has a molecular weight of 186.25 g/mol, XLogP of 0.45, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6R)-6-(2-hydroxypropan-2-yl)-3-methylcyclohex-3-ene-1,2-diol is sourced from PubChem (CID 131133945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).