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

C10H14O6 — CID 20979787

IUPAC5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-4-methoxy-3H-furan-2-one
SMILESCOC1=C(C2COC(C)(C)O2)OC(=O)C1O
InChIInChI=1S/C10H14O6/c1-10(2)14-4-5(16-10)7-8(13-3)6(11)9(12)15-7/h5-6,11H,4H2,1-3H3
InChIKeyQXNCIAWXPLUGBK-UHFFFAOYSA-N
MW230.22 g/mol
LogP-0.09
Rot. Bonds2

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

5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-4-methoxy-3H-furan-2-one (PubChem CID 20979787) has the molecular formula C10H14O6 and a molecular weight of 230.22 g/mol. Its IUPAC name is 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-4-methoxy-3H-furan-2-one.

Molecular Properties

Compound Name5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-4-methoxy-3H-furan-2-one
PubChem CID20979787
Molecular FormulaC10H14O6
Molecular Weight230.22 g/mol
Exact Mass230.08
IUPAC Name5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-4-methoxy-3H-furan-2-one
SMILESCOC1=C(C2COC(C)(C)O2)OC(=O)C1O
InChIInChI=1S/C10H14O6/c1-10(2)14-4-5(16-10)7-8(13-3)6(11)9(12)15-7/h5-6,11H,4H2,1-3H3
InChIKeyQXNCIAWXPLUGBK-UHFFFAOYSA-N
XLogP-0.09
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 ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-4-methoxy-3H-furan-2-one?
The IUPAC name of 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-4-methoxy-3H-furan-2-one (CID 20979787) is 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-4-methoxy-3H-furan-2-one.
What is the SMILES notation for 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-4-methoxy-3H-furan-2-one?
The canonical SMILES for 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-4-methoxy-3H-furan-2-one is COC1=C(C2COC(C)(C)O2)OC(=O)C1O.
What is the InChIKey of 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-4-methoxy-3H-furan-2-one?
The InChIKey is QXNCIAWXPLUGBK-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/h5-6,11H,4H2,1-3H3.
What are the key properties of 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-4-methoxy-3H-furan-2-one?
5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-4-methoxy-3H-furan-2-one has a molecular weight of 230.22 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-4-methoxy-3H-furan-2-one is sourced from PubChem (CID 20979787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).