(2S)-2-(1,3-dioxolan-4-yl)-3,4-dimethoxy-2H-furan-5-one

C9H12O6 — CID 135029216

IUPAC(2S)-2-(1,3-dioxolan-4-yl)-3,4-dimethoxy-2H-furan-5-one
SMILESCOC1=C(OC)[C@H](C2COCO2)OC1=O
InChIInChI=1S/C9H12O6/c1-11-7-6(5-3-13-4-14-5)15-9(10)8(7)12-2/h5-6H,3-4H2,1-2H3/t5?,6-/m0/s1
InChIKeyCODUSDPEPLUZLE-GDVGLLTNSA-N
MW216.19 g/mol
LogP-0.21
Rot. Bonds3

About (2S)-2-(1,3-dioxolan-4-yl)-3,4-dimethoxy-2H-furan-5-one

(2S)-2-(1,3-dioxolan-4-yl)-3,4-dimethoxy-2H-furan-5-one (PubChem CID 135029216) has the molecular formula C9H12O6 and a molecular weight of 216.19 g/mol. Its IUPAC name is (2S)-2-(1,3-dioxolan-4-yl)-3,4-dimethoxy-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-2-(1,3-dioxolan-4-yl)-3,4-dimethoxy-2H-furan-5-one
PubChem CID135029216
Molecular FormulaC9H12O6
Molecular Weight216.19 g/mol
Exact Mass216.06
IUPAC Name(2S)-2-(1,3-dioxolan-4-yl)-3,4-dimethoxy-2H-furan-5-one
SMILESCOC1=C(OC)[C@H](C2COCO2)OC1=O
InChIInChI=1S/C9H12O6/c1-11-7-6(5-3-13-4-14-5)15-9(10)8(7)12-2/h5-6H,3-4H2,1-2H3/t5?,6-/m0/s1
InChIKeyCODUSDPEPLUZLE-GDVGLLTNSA-N
XLogP-0.21
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,3-dioxolan-4-yl)-3,4-dimethoxy-2H-furan-5-one?
The IUPAC name of (2S)-2-(1,3-dioxolan-4-yl)-3,4-dimethoxy-2H-furan-5-one (CID 135029216) is (2S)-2-(1,3-dioxolan-4-yl)-3,4-dimethoxy-2H-furan-5-one.
What is the SMILES notation for (2S)-2-(1,3-dioxolan-4-yl)-3,4-dimethoxy-2H-furan-5-one?
The canonical SMILES for (2S)-2-(1,3-dioxolan-4-yl)-3,4-dimethoxy-2H-furan-5-one is COC1=C(OC)[C@H](C2COCO2)OC1=O.
What is the InChIKey of (2S)-2-(1,3-dioxolan-4-yl)-3,4-dimethoxy-2H-furan-5-one?
The InChIKey is CODUSDPEPLUZLE-GDVGLLTNSA-N. The full InChI is InChI=1S/C9H12O6/c1-11-7-6(5-3-13-4-14-5)15-9(10)8(7)12-2/h5-6H,3-4H2,1-2H3/t5?,6-/m0/s1.
What are the key properties of (2S)-2-(1,3-dioxolan-4-yl)-3,4-dimethoxy-2H-furan-5-one?
(2S)-2-(1,3-dioxolan-4-yl)-3,4-dimethoxy-2H-furan-5-one has a molecular weight of 216.19 g/mol, XLogP of -0.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,3-dioxolan-4-yl)-3,4-dimethoxy-2H-furan-5-one is sourced from PubChem (CID 135029216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).