(1R,2S,3R,4R)-4-[(2-methylpropan-2-yl)oxy]cyclohexane-1,2,3-triol

C10H20O4 — CID 118186347

IUPAC(1R,2S,3R,4R)-4-[(2-methylpropan-2-yl)oxy]cyclohexane-1,2,3-triol
SMILESCC(C)(C)O[C@@H]1CC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C10H20O4/c1-10(2,3)14-7-5-4-6(11)8(12)9(7)13/h6-9,11-13H,4-5H2,1-3H3/t6-,7-,8+,9+/m1/s1
InChIKeyUQMBYMXBQQMFSX-HXFLIBJXSA-N
MW204.27 g/mol
LogP0.05
Rot. Bonds1

About (1R,2S,3R,4R)-4-[(2-methylpropan-2-yl)oxy]cyclohexane-1,2,3-triol

(1R,2S,3R,4R)-4-[(2-methylpropan-2-yl)oxy]cyclohexane-1,2,3-triol (PubChem CID 118186347) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is (1R,2S,3R,4R)-4-[(2-methylpropan-2-yl)oxy]cyclohexane-1,2,3-triol.

Molecular Properties

Compound Name(1R,2S,3R,4R)-4-[(2-methylpropan-2-yl)oxy]cyclohexane-1,2,3-triol
PubChem CID118186347
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name(1R,2S,3R,4R)-4-[(2-methylpropan-2-yl)oxy]cyclohexane-1,2,3-triol
SMILESCC(C)(C)O[C@@H]1CC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C10H20O4/c1-10(2,3)14-7-5-4-6(11)8(12)9(7)13/h6-9,11-13H,4-5H2,1-3H3/t6-,7-,8+,9+/m1/s1
InChIKeyUQMBYMXBQQMFSX-HXFLIBJXSA-N
XLogP0.05
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (1R,2S,3R,4R)-4-[(2-methylpropan-2-yl)oxy]cyclohexane-1,2,3-triol 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 (1R,2S,3R,4R)-4-[(2-methylpropan-2-yl)oxy]cyclohexane-1,2,3-triol?
The IUPAC name of (1R,2S,3R,4R)-4-[(2-methylpropan-2-yl)oxy]cyclohexane-1,2,3-triol (CID 118186347) is (1R,2S,3R,4R)-4-[(2-methylpropan-2-yl)oxy]cyclohexane-1,2,3-triol.
What is the SMILES notation for (1R,2S,3R,4R)-4-[(2-methylpropan-2-yl)oxy]cyclohexane-1,2,3-triol?
The canonical SMILES for (1R,2S,3R,4R)-4-[(2-methylpropan-2-yl)oxy]cyclohexane-1,2,3-triol is CC(C)(C)O[C@@H]1CC[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (1R,2S,3R,4R)-4-[(2-methylpropan-2-yl)oxy]cyclohexane-1,2,3-triol?
The InChIKey is UQMBYMXBQQMFSX-HXFLIBJXSA-N. The full InChI is InChI=1S/C10H20O4/c1-10(2,3)14-7-5-4-6(11)8(12)9(7)13/h6-9,11-13H,4-5H2,1-3H3/t6-,7-,8+,9+/m1/s1.
What are the key properties of (1R,2S,3R,4R)-4-[(2-methylpropan-2-yl)oxy]cyclohexane-1,2,3-triol?
(1R,2S,3R,4R)-4-[(2-methylpropan-2-yl)oxy]cyclohexane-1,2,3-triol has a molecular weight of 204.27 g/mol, XLogP of 0.05, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,4R)-4-[(2-methylpropan-2-yl)oxy]cyclohexane-1,2,3-triol is sourced from PubChem (CID 118186347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).