3-cyclohexyl-4-cyclohexyloxy-2,3-dihydroxy-4-oxobutanoic acid

C16H26O6 — CID 67760146

IUPAC3-cyclohexyl-4-cyclohexyloxy-2,3-dihydroxy-4-oxobutanoic acid
SMILESO=C(O)C(O)C(O)(C(=O)OC1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H26O6/c17-13(14(18)19)16(21,11-7-3-1-4-8-11)15(20)22-12-9-5-2-6-10-12/h11-13,17,21H,1-10H2,(H,18,19)
InChIKeyAQGTWLGLABVGTP-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.62
Rot. Bonds5

About 3-cyclohexyl-4-cyclohexyloxy-2,3-dihydroxy-4-oxobutanoic acid

3-cyclohexyl-4-cyclohexyloxy-2,3-dihydroxy-4-oxobutanoic acid (PubChem CID 67760146) has the molecular formula C16H26O6 and a molecular weight of 314.38 g/mol. Its IUPAC name is 3-cyclohexyl-4-cyclohexyloxy-2,3-dihydroxy-4-oxobutanoic acid.

Molecular Properties

Compound Name3-cyclohexyl-4-cyclohexyloxy-2,3-dihydroxy-4-oxobutanoic acid
PubChem CID67760146
Molecular FormulaC16H26O6
Molecular Weight314.38 g/mol
Exact Mass314.17
IUPAC Name3-cyclohexyl-4-cyclohexyloxy-2,3-dihydroxy-4-oxobutanoic acid
SMILESO=C(O)C(O)C(O)(C(=O)OC1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H26O6/c17-13(14(18)19)16(21,11-7-3-1-4-8-11)15(20)22-12-9-5-2-6-10-12/h11-13,17,21H,1-10H2,(H,18,19)
InChIKeyAQGTWLGLABVGTP-UHFFFAOYSA-N
XLogP1.62
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl 2-cyclohexyl-2,3-dihydroxybutanedioate
CID 141412517
(2R,3R)-2,3-dicyclohexyloxybutanedioic acid
CID 90149743
cycloheptyl hydrogen carbonate
CID 23179405
cycloheptyl 2-bromo-2,2-difluoroacetate
CID 135281025
2-cyclooctyl-2-hydroxy-3-methylbutanoic acid
CID 79303151
cyclohexyl 2-methyl-2-(2-methylpropanoyloxy)propanoate
CID 155589409
azane;cyclohexyl hydrogen carbonate
CID 67723937
cyclohexyl 2,2,3,3,4-pentamethylpentanoate
CID 149014759
tricyclohexyl propane-1,1,1-tricarboxylate
CID 141164819
dicyclononyl carbonate
CID 139618210
2-O-cycloheptyl 1-O-cyclooctyl oxalate
CID 57251206
cyclohexyl 2,3-dicyclohexyl-2-silylpentanoate
CID 173470117

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-4-cyclohexyloxy-2,3-dihydroxy-4-oxobutanoic acid?
The IUPAC name of 3-cyclohexyl-4-cyclohexyloxy-2,3-dihydroxy-4-oxobutanoic acid (CID 67760146) is 3-cyclohexyl-4-cyclohexyloxy-2,3-dihydroxy-4-oxobutanoic acid.
What is the SMILES notation for 3-cyclohexyl-4-cyclohexyloxy-2,3-dihydroxy-4-oxobutanoic acid?
The canonical SMILES for 3-cyclohexyl-4-cyclohexyloxy-2,3-dihydroxy-4-oxobutanoic acid is O=C(O)C(O)C(O)(C(=O)OC1CCCCC1)C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-4-cyclohexyloxy-2,3-dihydroxy-4-oxobutanoic acid?
The InChIKey is AQGTWLGLABVGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O6/c17-13(14(18)19)16(21,11-7-3-1-4-8-11)15(20)22-12-9-5-2-6-10-12/h11-13,17,21H,1-10H2,(H,18,19).
What are the key properties of 3-cyclohexyl-4-cyclohexyloxy-2,3-dihydroxy-4-oxobutanoic acid?
3-cyclohexyl-4-cyclohexyloxy-2,3-dihydroxy-4-oxobutanoic acid has a molecular weight of 314.38 g/mol, XLogP of 1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-4-cyclohexyloxy-2,3-dihydroxy-4-oxobutanoic acid is sourced from PubChem (CID 67760146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).