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

C10H14O5 — CID 59444596

IUPAC2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-3-methyl-2H-furan-5-one
SMILESCC1=C(O)C(=O)OC1C1COC(C)(C)O1
InChIInChI=1S/C10H14O5/c1-5-7(11)9(12)14-8(5)6-4-13-10(2,3)15-6/h6,8,11H,4H2,1-3H3
InChIKeyHSBLTIHAMPZGRT-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.90
Rot. Bonds1

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

2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-3-methyl-2H-furan-5-one (PubChem CID 59444596) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-3-methyl-2H-furan-5-one.

Molecular Properties

Compound Name2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-3-methyl-2H-furan-5-one
PubChem CID59444596
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-3-methyl-2H-furan-5-one
SMILESCC1=C(O)C(=O)OC1C1COC(C)(C)O1
InChIInChI=1S/C10H14O5/c1-5-7(11)9(12)14-8(5)6-4-13-10(2,3)15-6/h6,8,11H,4H2,1-3H3
InChIKeyHSBLTIHAMPZGRT-UHFFFAOYSA-N
XLogP0.90
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-methyl-2H-furan-5-one?
The IUPAC name of 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-3-methyl-2H-furan-5-one (CID 59444596) is 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-3-methyl-2H-furan-5-one.
What is the SMILES notation for 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-3-methyl-2H-furan-5-one?
The canonical SMILES for 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-3-methyl-2H-furan-5-one is CC1=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-methyl-2H-furan-5-one?
The InChIKey is HSBLTIHAMPZGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-5-7(11)9(12)14-8(5)6-4-13-10(2,3)15-6/h6,8,11H,4H2,1-3H3.
What are the key properties of 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-3-methyl-2H-furan-5-one?
2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-3-methyl-2H-furan-5-one has a molecular weight of 214.22 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-3-methyl-2H-furan-5-one is sourced from PubChem (CID 59444596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).