1-(2-oxopropoxy)propan-2-one

C6H10O3 — CID 4522660

IUPAC1-(2-oxopropoxy)propan-2-one
SMILESCC(=O)COCC(C)=O
InChIInChI=1S/C6H10O3/c1-5(7)3-9-4-6(2)8/h3-4H2,1-2H3
InChIKeyICOZHMGZBBNHMH-UHFFFAOYSA-N
MW130.14 g/mol
LogP0.18
Rot. Bonds4

About 1-(2-oxopropoxy)propan-2-one

1-(2-oxopropoxy)propan-2-one (PubChem CID 4522660) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is 1-(2-oxopropoxy)propan-2-one.

Molecular Properties

Compound Name1-(2-oxopropoxy)propan-2-one
PubChem CID4522660
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name1-(2-oxopropoxy)propan-2-one
SMILESCC(=O)COCC(C)=O
InChIInChI=1S/C6H10O3/c1-5(7)3-9-4-6(2)8/h3-4H2,1-2H3
InChIKeyICOZHMGZBBNHMH-UHFFFAOYSA-N
XLogP0.18
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-oxopropoxy)propan-2-one?
The IUPAC name of 1-(2-oxopropoxy)propan-2-one (CID 4522660) is 1-(2-oxopropoxy)propan-2-one.
What is the SMILES notation for 1-(2-oxopropoxy)propan-2-one?
The canonical SMILES for 1-(2-oxopropoxy)propan-2-one is CC(=O)COCC(C)=O.
What is the InChIKey of 1-(2-oxopropoxy)propan-2-one?
The InChIKey is ICOZHMGZBBNHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-5(7)3-9-4-6(2)8/h3-4H2,1-2H3.
What are the key properties of 1-(2-oxopropoxy)propan-2-one?
1-(2-oxopropoxy)propan-2-one has a molecular weight of 130.14 g/mol, XLogP of 0.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxopropoxy)propan-2-one is sourced from PubChem (CID 4522660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).