3-hydroxy-5-(2,2,5-trimethyl-1,3-dioxolan-4-yl)oxolan-2-one

C10H16O5 — CID 14015241

IUPAC3-hydroxy-5-(2,2,5-trimethyl-1,3-dioxolan-4-yl)oxolan-2-one
SMILESCC1OC(C)(C)OC1C1CC(O)C(=O)O1
InChIInChI=1S/C10H16O5/c1-5-8(15-10(2,3)14-5)7-4-6(11)9(12)13-7/h5-8,11H,4H2,1-3H3
InChIKeyUWVIISQXQZBOKQ-UHFFFAOYSA-N
MW216.23 g/mol
LogP0.20
Rot. Bonds1

About 3-hydroxy-5-(2,2,5-trimethyl-1,3-dioxolan-4-yl)oxolan-2-one

3-hydroxy-5-(2,2,5-trimethyl-1,3-dioxolan-4-yl)oxolan-2-one (PubChem CID 14015241) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is 3-hydroxy-5-(2,2,5-trimethyl-1,3-dioxolan-4-yl)oxolan-2-one.

Molecular Properties

Compound Name3-hydroxy-5-(2,2,5-trimethyl-1,3-dioxolan-4-yl)oxolan-2-one
PubChem CID14015241
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name3-hydroxy-5-(2,2,5-trimethyl-1,3-dioxolan-4-yl)oxolan-2-one
SMILESCC1OC(C)(C)OC1C1CC(O)C(=O)O1
InChIInChI=1S/C10H16O5/c1-5-8(15-10(2,3)14-5)7-4-6(11)9(12)13-7/h5-8,11H,4H2,1-3H3
InChIKeyUWVIISQXQZBOKQ-UHFFFAOYSA-N
XLogP0.20
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-(2,2,5-trimethyl-1,3-dioxolan-4-yl)oxolan-2-one?
The IUPAC name of 3-hydroxy-5-(2,2,5-trimethyl-1,3-dioxolan-4-yl)oxolan-2-one (CID 14015241) is 3-hydroxy-5-(2,2,5-trimethyl-1,3-dioxolan-4-yl)oxolan-2-one.
What is the SMILES notation for 3-hydroxy-5-(2,2,5-trimethyl-1,3-dioxolan-4-yl)oxolan-2-one?
The canonical SMILES for 3-hydroxy-5-(2,2,5-trimethyl-1,3-dioxolan-4-yl)oxolan-2-one is CC1OC(C)(C)OC1C1CC(O)C(=O)O1.
What is the InChIKey of 3-hydroxy-5-(2,2,5-trimethyl-1,3-dioxolan-4-yl)oxolan-2-one?
The InChIKey is UWVIISQXQZBOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c1-5-8(15-10(2,3)14-5)7-4-6(11)9(12)13-7/h5-8,11H,4H2,1-3H3.
What are the key properties of 3-hydroxy-5-(2,2,5-trimethyl-1,3-dioxolan-4-yl)oxolan-2-one?
3-hydroxy-5-(2,2,5-trimethyl-1,3-dioxolan-4-yl)oxolan-2-one has a molecular weight of 216.23 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-(2,2,5-trimethyl-1,3-dioxolan-4-yl)oxolan-2-one is sourced from PubChem (CID 14015241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).