(5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolane-2,3,4-trione

C9H10O6 — CID 10727338

IUPAC(5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolane-2,3,4-trione
SMILESCC1(C)OC[C@@H]([C@H]2OC(=O)C(=O)C2=O)O1
InChIInChI=1S/C9H10O6/c1-9(2)13-3-4(15-9)7-5(10)6(11)8(12)14-7/h4,7H,3H2,1-2H3/t4-,7+/m0/s1
InChIKeyXTXAVJYXLXJPPA-MHTLYPKNSA-N
MW214.17 g/mol
LogP-0.80
Rot. Bonds1

About (5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolane-2,3,4-trione

(5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolane-2,3,4-trione (PubChem CID 10727338) has the molecular formula C9H10O6 and a molecular weight of 214.17 g/mol. Its IUPAC name is (5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolane-2,3,4-trione.

Molecular Properties

Compound Name(5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolane-2,3,4-trione
PubChem CID10727338
Molecular FormulaC9H10O6
Molecular Weight214.17 g/mol
Exact Mass214.05
IUPAC Name(5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolane-2,3,4-trione
SMILESCC1(C)OC[C@@H]([C@H]2OC(=O)C(=O)C2=O)O1
InChIInChI=1S/C9H10O6/c1-9(2)13-3-4(15-9)7-5(10)6(11)8(12)14-7/h4,7H,3H2,1-2H3/t4-,7+/m0/s1
InChIKeyXTXAVJYXLXJPPA-MHTLYPKNSA-N
XLogP-0.80
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 5-0.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolane-2,3,4-trione?
The IUPAC name of (5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolane-2,3,4-trione (CID 10727338) is (5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolane-2,3,4-trione.
What is the SMILES notation for (5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolane-2,3,4-trione?
The canonical SMILES for (5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolane-2,3,4-trione is CC1(C)OC[C@@H]([C@H]2OC(=O)C(=O)C2=O)O1.
What is the InChIKey of (5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolane-2,3,4-trione?
The InChIKey is XTXAVJYXLXJPPA-MHTLYPKNSA-N. The full InChI is InChI=1S/C9H10O6/c1-9(2)13-3-4(15-9)7-5(10)6(11)8(12)14-7/h4,7H,3H2,1-2H3/t4-,7+/m0/s1.
What are the key properties of (5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolane-2,3,4-trione?
(5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolane-2,3,4-trione has a molecular weight of 214.17 g/mol, XLogP of -0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolane-2,3,4-trione is sourced from PubChem (CID 10727338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).