5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxyhexan-2-one

C11H20O5 — CID 71023149

IUPAC5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxyhexan-2-one
SMILESCC(=O)C(O)C(O)C(C)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C11H20O5/c1-6(9(13)10(14)7(2)12)8-5-15-11(3,4)16-8/h6,8-10,13-14H,5H2,1-4H3/t6?,8-,9?,10?/m0/s1
InChIKeyXNPGKYYZNGBIPU-WEEJPIHDSA-N
MW232.28 g/mol
LogP0.08
Rot. Bonds4

About 5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxyhexan-2-one

5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxyhexan-2-one (PubChem CID 71023149) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is 5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxyhexan-2-one.

Molecular Properties

Compound Name5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxyhexan-2-one
PubChem CID71023149
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Name5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxyhexan-2-one
SMILESCC(=O)C(O)C(O)C(C)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C11H20O5/c1-6(9(13)10(14)7(2)12)8-5-15-11(3,4)16-8/h6,8-10,13-14H,5H2,1-4H3/t6?,8-,9?,10?/m0/s1
InChIKeyXNPGKYYZNGBIPU-WEEJPIHDSA-N
XLogP0.08
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxyhexan-2-one?
The IUPAC name of 5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxyhexan-2-one (CID 71023149) is 5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxyhexan-2-one.
What is the SMILES notation for 5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxyhexan-2-one?
The canonical SMILES for 5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxyhexan-2-one is CC(=O)C(O)C(O)C(C)[C@@H]1COC(C)(C)O1.
What is the InChIKey of 5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxyhexan-2-one?
The InChIKey is XNPGKYYZNGBIPU-WEEJPIHDSA-N. The full InChI is InChI=1S/C11H20O5/c1-6(9(13)10(14)7(2)12)8-5-15-11(3,4)16-8/h6,8-10,13-14H,5H2,1-4H3/t6?,8-,9?,10?/m0/s1.
What are the key properties of 5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxyhexan-2-one?
5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxyhexan-2-one has a molecular weight of 232.28 g/mol, XLogP of 0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxyhexan-2-one is sourced from PubChem (CID 71023149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).