1-cyclopropyl-2-diethoxyphosphorylpropan-1-one

C10H19O4P — CID 71426215

IUPAC1-cyclopropyl-2-diethoxyphosphorylpropan-1-one
SMILESCCOP(=O)(OCC)C(C)C(=O)C1CC1
InChIInChI=1S/C10H19O4P/c1-4-13-15(12,14-5-2)8(3)10(11)9-6-7-9/h8-9H,4-7H2,1-3H3
InChIKeyYYPVUYWLHZJSCN-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.62
Rot. Bonds7

About 1-cyclopropyl-2-diethoxyphosphorylpropan-1-one

1-cyclopropyl-2-diethoxyphosphorylpropan-1-one (PubChem CID 71426215) has the molecular formula C10H19O4P and a molecular weight of 234.23 g/mol. Its IUPAC name is 1-cyclopropyl-2-diethoxyphosphorylpropan-1-one.

Molecular Properties

Compound Name1-cyclopropyl-2-diethoxyphosphorylpropan-1-one
PubChem CID71426215
Molecular FormulaC10H19O4P
Molecular Weight234.23 g/mol
Exact Mass234.10
IUPAC Name1-cyclopropyl-2-diethoxyphosphorylpropan-1-one
SMILESCCOP(=O)(OCC)C(C)C(=O)C1CC1
InChIInChI=1S/C10H19O4P/c1-4-13-15(12,14-5-2)8(3)10(11)9-6-7-9/h8-9H,4-7H2,1-3H3
InChIKeyYYPVUYWLHZJSCN-UHFFFAOYSA-N
XLogP2.62
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-cyclopropyl-2-diethoxyphosphoryl-3-oxopropanoate
CID 86612914
S-propyl 2-diethoxyphosphorylpropanethioate
CID 15111680
1-[difluoromethyl(ethoxy)phosphoryl]oxyethane
CID 2758305
(2R,3S)-3-diethoxyphosphorylbutan-2-ol
CID 11031085
1,4-bis[diethoxyphosphoryl-(4-methoxycyclohexyl)methyl]cyclohexane
CID 140510025
ethyl 4-cyclopropyl-3-methyl-2,4-dioxobutanoate
CID 64919879
1-chloro-1-diethoxyphosphorylbutan-2-one
CID 13428109
1-diethoxyphosphorylethanamine
CID 5149858
2-diethoxyphosphorylbutane
CID 2733649
1-deuterio-1-diethoxyphosphoryl-1-fluoroethane
CID 10910232
ethyl 2-[(1-cyclopropyl-1-oxopropan-2-yl)amino]-2-oxoacetate
CID 171098969
1-cyclopropyl-2-ethyl-5-methoxypentane-1,3-dione
CID 165475194

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-diethoxyphosphorylpropan-1-one?
The IUPAC name of 1-cyclopropyl-2-diethoxyphosphorylpropan-1-one (CID 71426215) is 1-cyclopropyl-2-diethoxyphosphorylpropan-1-one.
What is the SMILES notation for 1-cyclopropyl-2-diethoxyphosphorylpropan-1-one?
The canonical SMILES for 1-cyclopropyl-2-diethoxyphosphorylpropan-1-one is CCOP(=O)(OCC)C(C)C(=O)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-diethoxyphosphorylpropan-1-one?
The InChIKey is YYPVUYWLHZJSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19O4P/c1-4-13-15(12,14-5-2)8(3)10(11)9-6-7-9/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-cyclopropyl-2-diethoxyphosphorylpropan-1-one?
1-cyclopropyl-2-diethoxyphosphorylpropan-1-one has a molecular weight of 234.23 g/mol, XLogP of 2.62, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-diethoxyphosphorylpropan-1-one is sourced from PubChem (CID 71426215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).