1-ethoxypropan-2-one

C5H10O2 — CID 12544552

IUPAC1-ethoxypropan-2-one
SMILESCCOCC(C)=O
InChIInChI=1S/C5H10O2/c1-3-7-4-5(2)6/h3-4H2,1-2H3
InChIKeyCXKAZTSHVRMSRT-UHFFFAOYSA-N
MW102.13 g/mol
LogP0.61
Rot. Bonds3

About 1-ethoxypropan-2-one

1-ethoxypropan-2-one (PubChem CID 12544552) has the molecular formula C5H10O2 and a molecular weight of 102.13 g/mol. Its IUPAC name is 1-ethoxypropan-2-one.

Molecular Properties

Compound Name1-ethoxypropan-2-one
PubChem CID12544552
Molecular FormulaC5H10O2
Molecular Weight102.13 g/mol
Exact Mass102.07
IUPAC Name1-ethoxypropan-2-one
SMILESCCOCC(C)=O
InChIInChI=1S/C5H10O2/c1-3-7-4-5(2)6/h3-4H2,1-2H3
InChIKeyCXKAZTSHVRMSRT-UHFFFAOYSA-N
XLogP0.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.13
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxypropan-2-one?
The IUPAC name of 1-ethoxypropan-2-one (CID 12544552) is 1-ethoxypropan-2-one.
What is the SMILES notation for 1-ethoxypropan-2-one?
The canonical SMILES for 1-ethoxypropan-2-one is CCOCC(C)=O.
What is the InChIKey of 1-ethoxypropan-2-one?
The InChIKey is CXKAZTSHVRMSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2/c1-3-7-4-5(2)6/h3-4H2,1-2H3.
What are the key properties of 1-ethoxypropan-2-one?
1-ethoxypropan-2-one has a molecular weight of 102.13 g/mol, XLogP of 0.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxypropan-2-one is sourced from PubChem (CID 12544552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).