3,4-dihydroxy-6-methyl-5-propan-2-yloxane-2-carboxylic acid

C10H18O5 — CID 159983646

IUPAC3,4-dihydroxy-6-methyl-5-propan-2-yloxane-2-carboxylic acid
SMILESCC(C)C1C(C)OC(C(=O)O)C(O)C1O
InChIInChI=1S/C10H18O5/c1-4(2)6-5(3)15-9(10(13)14)8(12)7(6)11/h4-9,11-12H,1-3H3,(H,13,14)
InChIKeyIGPNWGLUPVESBJ-UHFFFAOYSA-N
MW218.25 g/mol
LogP-0.15
Rot. Bonds2

About 3,4-dihydroxy-6-methyl-5-propan-2-yloxane-2-carboxylic acid

3,4-dihydroxy-6-methyl-5-propan-2-yloxane-2-carboxylic acid (PubChem CID 159983646) has the molecular formula C10H18O5 and a molecular weight of 218.25 g/mol. Its IUPAC name is 3,4-dihydroxy-6-methyl-5-propan-2-yloxane-2-carboxylic acid.

Molecular Properties

Compound Name3,4-dihydroxy-6-methyl-5-propan-2-yloxane-2-carboxylic acid
PubChem CID159983646
Molecular FormulaC10H18O5
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name3,4-dihydroxy-6-methyl-5-propan-2-yloxane-2-carboxylic acid
SMILESCC(C)C1C(C)OC(C(=O)O)C(O)C1O
InChIInChI=1S/C10H18O5/c1-4(2)6-5(3)15-9(10(13)14)8(12)7(6)11/h4-9,11-12H,1-3H3,(H,13,14)
InChIKeyIGPNWGLUPVESBJ-UHFFFAOYSA-N
XLogP-0.15
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3,4-dihydroxy-6-methyl-5-propan-2-yloxane-2-carboxylic acid 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

(3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyloxane-2-carboxylic acid
CID 54302978
(3R,5R,6R)-3,4,5-trihydroxy-6-methyloxane-2-carboxylic acid
CID 91138099
(3S,5R,6R)-3,4-dihydroxy-5,6-dimethyloxane-2-carboxylic acid
CID 153382641
3,4-dihydroxyoxolane-2,5-dicarboxylic acid
CID 24781906
(2S,3R,4S,5S,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol;(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxane-2-carboxylic acid
CID 158942249
(3S,4R)-3,5-dihydroxy-4-methoxy-6-methyloxane-2-carboxylic acid
CID 122579172
(3S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
CID 89252286
4-methyloxetane-2,3-dicarboxylic acid
CID 89315137
(2R,3R,4S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
CID 90062883
(4S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
CID 122632722
6-(2,4-dimethylpentan-3-yloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 162993704
sodium;hydride;(2R,3R)-3-methyloxirane-2-carboxylic acid
CID 175249214

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-6-methyl-5-propan-2-yloxane-2-carboxylic acid?
The IUPAC name of 3,4-dihydroxy-6-methyl-5-propan-2-yloxane-2-carboxylic acid (CID 159983646) is 3,4-dihydroxy-6-methyl-5-propan-2-yloxane-2-carboxylic acid.
What is the SMILES notation for 3,4-dihydroxy-6-methyl-5-propan-2-yloxane-2-carboxylic acid?
The canonical SMILES for 3,4-dihydroxy-6-methyl-5-propan-2-yloxane-2-carboxylic acid is CC(C)C1C(C)OC(C(=O)O)C(O)C1O.
What is the InChIKey of 3,4-dihydroxy-6-methyl-5-propan-2-yloxane-2-carboxylic acid?
The InChIKey is IGPNWGLUPVESBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5/c1-4(2)6-5(3)15-9(10(13)14)8(12)7(6)11/h4-9,11-12H,1-3H3,(H,13,14).
What are the key properties of 3,4-dihydroxy-6-methyl-5-propan-2-yloxane-2-carboxylic acid?
3,4-dihydroxy-6-methyl-5-propan-2-yloxane-2-carboxylic acid has a molecular weight of 218.25 g/mol, XLogP of -0.15, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-6-methyl-5-propan-2-yloxane-2-carboxylic acid is sourced from PubChem (CID 159983646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).