1-ethoxypropan-2-one;methyl propanoate

C9H18O4 — CID 158504783

IUPAC1-ethoxypropan-2-one;methyl propanoate
SMILESCCC(=O)OC.CCOCC(C)=O
InChIInChI=1S/C5H10O2.C4H8O2/c1-3-7-4-5(2)6;1-3-4(5)6-2/h3-4H2,1-2H3;3H2,1-2H3
InChIKeyHKIKNSRPDUEEFM-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.18
Rot. Bonds4

About 1-ethoxypropan-2-one;methyl propanoate

1-ethoxypropan-2-one;methyl propanoate (PubChem CID 158504783) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is 1-ethoxypropan-2-one;methyl propanoate.

Molecular Properties

Compound Name1-ethoxypropan-2-one;methyl propanoate
PubChem CID158504783
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Name1-ethoxypropan-2-one;methyl propanoate
SMILESCCC(=O)OC.CCOCC(C)=O
InChIInChI=1S/C5H10O2.C4H8O2/c1-3-7-4-5(2)6;1-3-4(5)6-2/h3-4H2,1-2H3;3H2,1-2H3
InChIKeyHKIKNSRPDUEEFM-UHFFFAOYSA-N
XLogP1.18
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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1-hydroxypropan-2-one;methane;methyl propanoate
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acetyl 2-ethoxyacetate
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Frequently Asked Questions

What is the IUPAC name of 1-ethoxypropan-2-one;methyl propanoate?
The IUPAC name of 1-ethoxypropan-2-one;methyl propanoate (CID 158504783) is 1-ethoxypropan-2-one;methyl propanoate.
What is the SMILES notation for 1-ethoxypropan-2-one;methyl propanoate?
The canonical SMILES for 1-ethoxypropan-2-one;methyl propanoate is CCC(=O)OC.CCOCC(C)=O.
What is the InChIKey of 1-ethoxypropan-2-one;methyl propanoate?
The InChIKey is HKIKNSRPDUEEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.C4H8O2/c1-3-7-4-5(2)6;1-3-4(5)6-2/h3-4H2,1-2H3;3H2,1-2H3.
What are the key properties of 1-ethoxypropan-2-one;methyl propanoate?
1-ethoxypropan-2-one;methyl propanoate has a molecular weight of 190.24 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxypropan-2-one;methyl propanoate is sourced from PubChem (CID 158504783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).