1-(2,5-dimethoxyoxolan-3-yl)propan-1-one

C9H16O4 — CID 22097064

IUPAC1-(2,5-dimethoxyoxolan-3-yl)propan-1-one
SMILESCCC(=O)C1CC(OC)OC1OC
InChIInChI=1S/C9H16O4/c1-4-7(10)6-5-8(11-2)13-9(6)12-3/h6,8-9H,4-5H2,1-3H3
InChIKeyKVNPMOIEOKFRMD-UHFFFAOYSA-N
MW188.22 g/mol
LogP0.95
Rot. Bonds4

About 1-(2,5-dimethoxyoxolan-3-yl)propan-1-one

1-(2,5-dimethoxyoxolan-3-yl)propan-1-one (PubChem CID 22097064) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 1-(2,5-dimethoxyoxolan-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,5-dimethoxyoxolan-3-yl)propan-1-one
PubChem CID22097064
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name1-(2,5-dimethoxyoxolan-3-yl)propan-1-one
SMILESCCC(=O)C1CC(OC)OC1OC
InChIInChI=1S/C9H16O4/c1-4-7(10)6-5-8(11-2)13-9(6)12-3/h6,8-9H,4-5H2,1-3H3
InChIKeyKVNPMOIEOKFRMD-UHFFFAOYSA-N
XLogP0.95
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyoxolan-3-yl)propan-1-one?
The IUPAC name of 1-(2,5-dimethoxyoxolan-3-yl)propan-1-one (CID 22097064) is 1-(2,5-dimethoxyoxolan-3-yl)propan-1-one.
What is the SMILES notation for 1-(2,5-dimethoxyoxolan-3-yl)propan-1-one?
The canonical SMILES for 1-(2,5-dimethoxyoxolan-3-yl)propan-1-one is CCC(=O)C1CC(OC)OC1OC.
What is the InChIKey of 1-(2,5-dimethoxyoxolan-3-yl)propan-1-one?
The InChIKey is KVNPMOIEOKFRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-4-7(10)6-5-8(11-2)13-9(6)12-3/h6,8-9H,4-5H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyoxolan-3-yl)propan-1-one?
1-(2,5-dimethoxyoxolan-3-yl)propan-1-one has a molecular weight of 188.22 g/mol, XLogP of 0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyoxolan-3-yl)propan-1-one is sourced from PubChem (CID 22097064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).