3-(oxan-2-yloxymethyl)oxolan-2-one

C10H16O4 — CID 67296792

IUPAC3-(oxan-2-yloxymethyl)oxolan-2-one
SMILESO=C1OCCC1COC1CCCCO1
InChIInChI=1S/C10H16O4/c11-10-8(4-6-13-10)7-14-9-3-1-2-5-12-9/h8-9H,1-7H2
InChIKeyALCFJIOQXSTPMP-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.09
Rot. Bonds3

About 3-(oxan-2-yloxymethyl)oxolan-2-one

3-(oxan-2-yloxymethyl)oxolan-2-one (PubChem CID 67296792) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 3-(oxan-2-yloxymethyl)oxolan-2-one.

Molecular Properties

Compound Name3-(oxan-2-yloxymethyl)oxolan-2-one
PubChem CID67296792
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name3-(oxan-2-yloxymethyl)oxolan-2-one
SMILESO=C1OCCC1COC1CCCCO1
InChIInChI=1S/C10H16O4/c11-10-8(4-6-13-10)7-14-9-3-1-2-5-12-9/h8-9H,1-7H2
InChIKeyALCFJIOQXSTPMP-UHFFFAOYSA-N
XLogP1.09
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-yloxymethyl)oxolan-2-one?
The IUPAC name of 3-(oxan-2-yloxymethyl)oxolan-2-one (CID 67296792) is 3-(oxan-2-yloxymethyl)oxolan-2-one.
What is the SMILES notation for 3-(oxan-2-yloxymethyl)oxolan-2-one?
The canonical SMILES for 3-(oxan-2-yloxymethyl)oxolan-2-one is O=C1OCCC1COC1CCCCO1.
What is the InChIKey of 3-(oxan-2-yloxymethyl)oxolan-2-one?
The InChIKey is ALCFJIOQXSTPMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c11-10-8(4-6-13-10)7-14-9-3-1-2-5-12-9/h8-9H,1-7H2.
What are the key properties of 3-(oxan-2-yloxymethyl)oxolan-2-one?
3-(oxan-2-yloxymethyl)oxolan-2-one has a molecular weight of 200.23 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-yloxymethyl)oxolan-2-one is sourced from PubChem (CID 67296792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).