1-[(3R,4R)-6-tert-butyl-3,4,5-trihydroxyoxan-2-yl]ethanone

C11H20O5 — CID 59762526

IUPAC1-[(3R,4R)-6-tert-butyl-3,4,5-trihydroxyoxan-2-yl]ethanone
SMILESCC(=O)C1OC(C(C)(C)C)C(O)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H20O5/c1-5(12)9-7(14)6(13)8(15)10(16-9)11(2,3)4/h6-10,13-15H,1-4H3/t6-,7+,8?,9?,10?/m0/s1
InChIKeyRUNQSOKIBMLUSL-BLHFLBKCSA-N
MW232.28 g/mol
LogP-0.53
Rot. Bonds1

About 1-[(3R,4R)-6-tert-butyl-3,4,5-trihydroxyoxan-2-yl]ethanone

1-[(3R,4R)-6-tert-butyl-3,4,5-trihydroxyoxan-2-yl]ethanone (PubChem CID 59762526) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-[(3R,4R)-6-tert-butyl-3,4,5-trihydroxyoxan-2-yl]ethanone.

Molecular Properties

Compound Name1-[(3R,4R)-6-tert-butyl-3,4,5-trihydroxyoxan-2-yl]ethanone
PubChem CID59762526
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Name1-[(3R,4R)-6-tert-butyl-3,4,5-trihydroxyoxan-2-yl]ethanone
SMILESCC(=O)C1OC(C(C)(C)C)C(O)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H20O5/c1-5(12)9-7(14)6(13)8(15)10(16-9)11(2,3)4/h6-10,13-15H,1-4H3/t6-,7+,8?,9?,10?/m0/s1
InChIKeyRUNQSOKIBMLUSL-BLHFLBKCSA-N
XLogP-0.53
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[(3R,4R)-6-tert-butyl-3,4,5-trihydroxyoxan-2-yl]ethanone 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 1-[(3R,4R)-6-tert-butyl-3,4,5-trihydroxyoxan-2-yl]ethanone?
The IUPAC name of 1-[(3R,4R)-6-tert-butyl-3,4,5-trihydroxyoxan-2-yl]ethanone (CID 59762526) is 1-[(3R,4R)-6-tert-butyl-3,4,5-trihydroxyoxan-2-yl]ethanone.
What is the SMILES notation for 1-[(3R,4R)-6-tert-butyl-3,4,5-trihydroxyoxan-2-yl]ethanone?
The canonical SMILES for 1-[(3R,4R)-6-tert-butyl-3,4,5-trihydroxyoxan-2-yl]ethanone is CC(=O)C1OC(C(C)(C)C)C(O)[C@@H](O)[C@H]1O.
What is the InChIKey of 1-[(3R,4R)-6-tert-butyl-3,4,5-trihydroxyoxan-2-yl]ethanone?
The InChIKey is RUNQSOKIBMLUSL-BLHFLBKCSA-N. The full InChI is InChI=1S/C11H20O5/c1-5(12)9-7(14)6(13)8(15)10(16-9)11(2,3)4/h6-10,13-15H,1-4H3/t6-,7+,8?,9?,10?/m0/s1.
What are the key properties of 1-[(3R,4R)-6-tert-butyl-3,4,5-trihydroxyoxan-2-yl]ethanone?
1-[(3R,4R)-6-tert-butyl-3,4,5-trihydroxyoxan-2-yl]ethanone has a molecular weight of 232.28 g/mol, XLogP of -0.53, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-6-tert-butyl-3,4,5-trihydroxyoxan-2-yl]ethanone is sourced from PubChem (CID 59762526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).