1-cyclopropyl-3-ethoxy-1-methoxypropan-2-one

C9H16O3 — CID 116709178

IUPAC1-cyclopropyl-3-ethoxy-1-methoxypropan-2-one
SMILESCCOCC(=O)C(OC)C1CC1
InChIInChI=1S/C9H16O3/c1-3-12-6-8(10)9(11-2)7-4-5-7/h7,9H,3-6H2,1-2H3
InChIKeySFOJVZMLHHCNNH-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.02
Rot. Bonds6

About 1-cyclopropyl-3-ethoxy-1-methoxypropan-2-one

1-cyclopropyl-3-ethoxy-1-methoxypropan-2-one (PubChem CID 116709178) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 1-cyclopropyl-3-ethoxy-1-methoxypropan-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-ethoxy-1-methoxypropan-2-one
PubChem CID116709178
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name1-cyclopropyl-3-ethoxy-1-methoxypropan-2-one
SMILESCCOCC(=O)C(OC)C1CC1
InChIInChI=1S/C9H16O3/c1-3-12-6-8(10)9(11-2)7-4-5-7/h7,9H,3-6H2,1-2H3
InChIKeySFOJVZMLHHCNNH-UHFFFAOYSA-N
XLogP1.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-1-methoxybutan-2-one
CID 83225361
3-cyclopropyl-1-ethoxybutan-2-one
CID 115783017
1-cyclopropyl-1-methoxytetradecan-2-one
CID 116708948
3-cyclopentyl-1-cyclopropyl-1-methoxypropan-2-one
CID 116709029
1-cyclopropyl-1-methoxyhex-5-en-2-one
CID 116708905
1-cyclohexyl-1-methoxypent-4-en-2-one
CID 116750869
1-cyclopropyl-1-hydroxy-3-propoxypropan-2-one
CID 103455690
1-cyclopentyl-2-cyclopropyl-2-methoxyethanone
CID 116709099
1-cyclopropyl-1-methoxy-3-(2-methoxyphenyl)propan-2-one
CID 116709197
1-cyclopropyl-3-(2,6-difluorophenyl)-1-methoxypropan-2-one
CID 114931443
1-cyclopropyl-1-ethoxyheptan-2-one
CID 116709315
2-(4-aminocyclohexyl)-2-methoxyacetamide
CID 91129607

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-ethoxy-1-methoxypropan-2-one?
The IUPAC name of 1-cyclopropyl-3-ethoxy-1-methoxypropan-2-one (CID 116709178) is 1-cyclopropyl-3-ethoxy-1-methoxypropan-2-one.
What is the SMILES notation for 1-cyclopropyl-3-ethoxy-1-methoxypropan-2-one?
The canonical SMILES for 1-cyclopropyl-3-ethoxy-1-methoxypropan-2-one is CCOCC(=O)C(OC)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-ethoxy-1-methoxypropan-2-one?
The InChIKey is SFOJVZMLHHCNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-3-12-6-8(10)9(11-2)7-4-5-7/h7,9H,3-6H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-ethoxy-1-methoxypropan-2-one?
1-cyclopropyl-3-ethoxy-1-methoxypropan-2-one has a molecular weight of 172.22 g/mol, XLogP of 1.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-ethoxy-1-methoxypropan-2-one is sourced from PubChem (CID 116709178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).