1-[2-(2-oxopropoxy)propoxy]propan-2-one

C9H16O4 — CID 15144682

IUPAC1-[2-(2-oxopropoxy)propoxy]propan-2-one
SMILESCC(=O)COCC(C)OCC(C)=O
InChIInChI=1S/C9H16O4/c1-7(10)4-12-6-9(3)13-5-8(2)11/h9H,4-6H2,1-3H3
InChIKeyGQPPTQFPOMWYRB-UHFFFAOYSA-N
MW188.22 g/mol
LogP0.59
Rot. Bonds7

About 1-[2-(2-oxopropoxy)propoxy]propan-2-one

1-[2-(2-oxopropoxy)propoxy]propan-2-one (PubChem CID 15144682) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 1-[2-(2-oxopropoxy)propoxy]propan-2-one.

Molecular Properties

Compound Name1-[2-(2-oxopropoxy)propoxy]propan-2-one
PubChem CID15144682
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name1-[2-(2-oxopropoxy)propoxy]propan-2-one
SMILESCC(=O)COCC(C)OCC(C)=O
InChIInChI=1S/C9H16O4/c1-7(10)4-12-6-9(3)13-5-8(2)11/h9H,4-6H2,1-3H3
InChIKeyGQPPTQFPOMWYRB-UHFFFAOYSA-N
XLogP0.59
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-oxopropoxy)propoxy]propan-2-one?
The IUPAC name of 1-[2-(2-oxopropoxy)propoxy]propan-2-one (CID 15144682) is 1-[2-(2-oxopropoxy)propoxy]propan-2-one.
What is the SMILES notation for 1-[2-(2-oxopropoxy)propoxy]propan-2-one?
The canonical SMILES for 1-[2-(2-oxopropoxy)propoxy]propan-2-one is CC(=O)COCC(C)OCC(C)=O.
What is the InChIKey of 1-[2-(2-oxopropoxy)propoxy]propan-2-one?
The InChIKey is GQPPTQFPOMWYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-7(10)4-12-6-9(3)13-5-8(2)11/h9H,4-6H2,1-3H3.
What are the key properties of 1-[2-(2-oxopropoxy)propoxy]propan-2-one?
1-[2-(2-oxopropoxy)propoxy]propan-2-one has a molecular weight of 188.22 g/mol, XLogP of 0.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-oxopropoxy)propoxy]propan-2-one is sourced from PubChem (CID 15144682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).