4-(1,3-dioxolan-2-yl)-5-(oxan-2-yloxymethyl)oxolan-2-one

C13H20O6 — CID 20816441

IUPAC4-(1,3-dioxolan-2-yl)-5-(oxan-2-yloxymethyl)oxolan-2-one
SMILESO=C1CC(C2OCCO2)C(COC2CCCCO2)O1
InChIInChI=1S/C13H20O6/c14-11-7-9(13-16-5-6-17-13)10(19-11)8-18-12-3-1-2-4-15-12/h9-10,12-13H,1-8H2
InChIKeyCQYSOVGFTYMBDQ-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.83
Rot. Bonds4

About 4-(1,3-dioxolan-2-yl)-5-(oxan-2-yloxymethyl)oxolan-2-one

4-(1,3-dioxolan-2-yl)-5-(oxan-2-yloxymethyl)oxolan-2-one (PubChem CID 20816441) has the molecular formula C13H20O6 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-(1,3-dioxolan-2-yl)-5-(oxan-2-yloxymethyl)oxolan-2-one.

Molecular Properties

Compound Name4-(1,3-dioxolan-2-yl)-5-(oxan-2-yloxymethyl)oxolan-2-one
PubChem CID20816441
Molecular FormulaC13H20O6
Molecular Weight272.30 g/mol
Exact Mass272.13
IUPAC Name4-(1,3-dioxolan-2-yl)-5-(oxan-2-yloxymethyl)oxolan-2-one
SMILESO=C1CC(C2OCCO2)C(COC2CCCCO2)O1
InChIInChI=1S/C13H20O6/c14-11-7-9(13-16-5-6-17-13)10(19-11)8-18-12-3-1-2-4-15-12/h9-10,12-13H,1-8H2
InChIKeyCQYSOVGFTYMBDQ-UHFFFAOYSA-N
XLogP0.83
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dioxolan-2-yl)-5-(oxan-2-yloxymethyl)oxolan-2-one?
The IUPAC name of 4-(1,3-dioxolan-2-yl)-5-(oxan-2-yloxymethyl)oxolan-2-one (CID 20816441) is 4-(1,3-dioxolan-2-yl)-5-(oxan-2-yloxymethyl)oxolan-2-one.
What is the SMILES notation for 4-(1,3-dioxolan-2-yl)-5-(oxan-2-yloxymethyl)oxolan-2-one?
The canonical SMILES for 4-(1,3-dioxolan-2-yl)-5-(oxan-2-yloxymethyl)oxolan-2-one is O=C1CC(C2OCCO2)C(COC2CCCCO2)O1.
What is the InChIKey of 4-(1,3-dioxolan-2-yl)-5-(oxan-2-yloxymethyl)oxolan-2-one?
The InChIKey is CQYSOVGFTYMBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O6/c14-11-7-9(13-16-5-6-17-13)10(19-11)8-18-12-3-1-2-4-15-12/h9-10,12-13H,1-8H2.
What are the key properties of 4-(1,3-dioxolan-2-yl)-5-(oxan-2-yloxymethyl)oxolan-2-one?
4-(1,3-dioxolan-2-yl)-5-(oxan-2-yloxymethyl)oxolan-2-one has a molecular weight of 272.30 g/mol, XLogP of 0.83, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dioxolan-2-yl)-5-(oxan-2-yloxymethyl)oxolan-2-one is sourced from PubChem (CID 20816441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).