2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-3-methoxy-2H-furan-5-one

C10H14O6 — CID 14351106

IUPAC2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-3-methoxy-2H-furan-5-one
SMILESCOC1=C(O)C(=O)OC1C1COC(C)(C)O1
InChIInChI=1S/C10H14O6/c1-10(2)14-4-5(16-10)7-8(13-3)6(11)9(12)15-7/h5,7,11H,4H2,1-3H3
InChIKeyIRFTYLPNPVDEBK-UHFFFAOYSA-N
MW230.22 g/mol
LogP0.48
Rot. Bonds2

About 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-3-methoxy-2H-furan-5-one

2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-3-methoxy-2H-furan-5-one (PubChem CID 14351106) has the molecular formula C10H14O6 and a molecular weight of 230.22 g/mol. Its IUPAC name is 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-3-methoxy-2H-furan-5-one.

Molecular Properties

Compound Name2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-3-methoxy-2H-furan-5-one
PubChem CID14351106
Molecular FormulaC10H14O6
Molecular Weight230.22 g/mol
Exact Mass230.08
IUPAC Name2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-3-methoxy-2H-furan-5-one
SMILESCOC1=C(O)C(=O)OC1C1COC(C)(C)O1
InChIInChI=1S/C10H14O6/c1-10(2)14-4-5(16-10)7-8(13-3)6(11)9(12)15-7/h5,7,11H,4H2,1-3H3
InChIKeyIRFTYLPNPVDEBK-UHFFFAOYSA-N
XLogP0.48
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-3-methoxy-2H-furan-5-one?
The IUPAC name of 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-3-methoxy-2H-furan-5-one (CID 14351106) is 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-3-methoxy-2H-furan-5-one.
What is the SMILES notation for 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-3-methoxy-2H-furan-5-one?
The canonical SMILES for 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-3-methoxy-2H-furan-5-one is COC1=C(O)C(=O)OC1C1COC(C)(C)O1.
What is the InChIKey of 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-3-methoxy-2H-furan-5-one?
The InChIKey is IRFTYLPNPVDEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O6/c1-10(2)14-4-5(16-10)7-8(13-3)6(11)9(12)15-7/h5,7,11H,4H2,1-3H3.
What are the key properties of 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-3-methoxy-2H-furan-5-one?
2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-3-methoxy-2H-furan-5-one has a molecular weight of 230.22 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-3-methoxy-2H-furan-5-one is sourced from PubChem (CID 14351106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).