1-cyclopropyl-3,3-diethoxypropan-1-one

C10H18O3 — CID 14090491

IUPAC1-cyclopropyl-3,3-diethoxypropan-1-one
SMILESCCOC(CC(=O)C1CC1)OCC
InChIInChI=1S/C10H18O3/c1-3-12-10(13-4-2)7-9(11)8-5-6-8/h8,10H,3-7H2,1-2H3
InChIKeyWDWLTEQSSVQLAO-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.75
Rot. Bonds7

About 1-cyclopropyl-3,3-diethoxypropan-1-one

1-cyclopropyl-3,3-diethoxypropan-1-one (PubChem CID 14090491) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-cyclopropyl-3,3-diethoxypropan-1-one.

Molecular Properties

Compound Name1-cyclopropyl-3,3-diethoxypropan-1-one
PubChem CID14090491
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name1-cyclopropyl-3,3-diethoxypropan-1-one
SMILESCCOC(CC(=O)C1CC1)OCC
InChIInChI=1S/C10H18O3/c1-3-12-10(13-4-2)7-9(11)8-5-6-8/h8,10H,3-7H2,1-2H3
InChIKeyWDWLTEQSSVQLAO-UHFFFAOYSA-N
XLogP1.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3,3-diethoxypropan-1-one?
The IUPAC name of 1-cyclopropyl-3,3-diethoxypropan-1-one (CID 14090491) is 1-cyclopropyl-3,3-diethoxypropan-1-one.
What is the SMILES notation for 1-cyclopropyl-3,3-diethoxypropan-1-one?
The canonical SMILES for 1-cyclopropyl-3,3-diethoxypropan-1-one is CCOC(CC(=O)C1CC1)OCC.
What is the InChIKey of 1-cyclopropyl-3,3-diethoxypropan-1-one?
The InChIKey is WDWLTEQSSVQLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-3-12-10(13-4-2)7-9(11)8-5-6-8/h8,10H,3-7H2,1-2H3.
What are the key properties of 1-cyclopropyl-3,3-diethoxypropan-1-one?
1-cyclopropyl-3,3-diethoxypropan-1-one has a molecular weight of 186.25 g/mol, XLogP of 1.75, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3,3-diethoxypropan-1-one is sourced from PubChem (CID 14090491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).