6-tert-butyl-3,4,5-trihydroxyoxane-2-carboxylic acid

C10H18O6 — CID 18731785

IUPAC6-tert-butyl-3,4,5-trihydroxyoxane-2-carboxylic acid
SMILESCC(C)(C)C1OC(C(=O)O)C(O)C(O)C1O
InChIInChI=1S/C10H18O6/c1-10(2,3)8-6(13)4(11)5(12)7(16-8)9(14)15/h4-8,11-13H,1-3H3,(H,14,15)
InChIKeyGTGAEBSGDSYYRI-UHFFFAOYSA-N
MW234.25 g/mol
LogP-1.03
Rot. Bonds1

About 6-tert-butyl-3,4,5-trihydroxyoxane-2-carboxylic acid

6-tert-butyl-3,4,5-trihydroxyoxane-2-carboxylic acid (PubChem CID 18731785) has the molecular formula C10H18O6 and a molecular weight of 234.25 g/mol. Its IUPAC name is 6-tert-butyl-3,4,5-trihydroxyoxane-2-carboxylic acid.

Molecular Properties

Compound Name6-tert-butyl-3,4,5-trihydroxyoxane-2-carboxylic acid
PubChem CID18731785
Molecular FormulaC10H18O6
Molecular Weight234.25 g/mol
Exact Mass234.11
IUPAC Name6-tert-butyl-3,4,5-trihydroxyoxane-2-carboxylic acid
SMILESCC(C)(C)C1OC(C(=O)O)C(O)C(O)C1O
InChIInChI=1S/C10H18O6/c1-10(2,3)8-6(13)4(11)5(12)7(16-8)9(14)15/h4-8,11-13H,1-3H3,(H,14,15)
InChIKeyGTGAEBSGDSYYRI-UHFFFAOYSA-N
XLogP-1.03
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 5-1.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3,4,5-trihydroxyoxane-2-carboxylic acid?
The IUPAC name of 6-tert-butyl-3,4,5-trihydroxyoxane-2-carboxylic acid (CID 18731785) is 6-tert-butyl-3,4,5-trihydroxyoxane-2-carboxylic acid.
What is the SMILES notation for 6-tert-butyl-3,4,5-trihydroxyoxane-2-carboxylic acid?
The canonical SMILES for 6-tert-butyl-3,4,5-trihydroxyoxane-2-carboxylic acid is CC(C)(C)C1OC(C(=O)O)C(O)C(O)C1O.
What is the InChIKey of 6-tert-butyl-3,4,5-trihydroxyoxane-2-carboxylic acid?
The InChIKey is GTGAEBSGDSYYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O6/c1-10(2,3)8-6(13)4(11)5(12)7(16-8)9(14)15/h4-8,11-13H,1-3H3,(H,14,15).
What are the key properties of 6-tert-butyl-3,4,5-trihydroxyoxane-2-carboxylic acid?
6-tert-butyl-3,4,5-trihydroxyoxane-2-carboxylic acid has a molecular weight of 234.25 g/mol, XLogP of -1.03, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3,4,5-trihydroxyoxane-2-carboxylic acid is sourced from PubChem (CID 18731785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).