3-diethoxyphosphorylpropyl acetate

C9H19O5P — CID 11064437

IUPAC3-diethoxyphosphorylpropyl acetate
SMILESCCOP(=O)(CCCOC(C)=O)OCC
InChIInChI=1S/C9H19O5P/c1-4-13-15(11,14-5-2)8-6-7-12-9(3)10/h4-8H2,1-3H3
InChIKeyRRFYWUJZEPKTHW-UHFFFAOYSA-N
MW238.22 g/mol
LogP2.21
Rot. Bonds8

About 3-diethoxyphosphorylpropyl acetate

3-diethoxyphosphorylpropyl acetate (PubChem CID 11064437) has the molecular formula C9H19O5P and a molecular weight of 238.22 g/mol. Its IUPAC name is 3-diethoxyphosphorylpropyl acetate.

Molecular Properties

Compound Name3-diethoxyphosphorylpropyl acetate
PubChem CID11064437
Molecular FormulaC9H19O5P
Molecular Weight238.22 g/mol
Exact Mass238.10
IUPAC Name3-diethoxyphosphorylpropyl acetate
SMILESCCOP(=O)(CCCOC(C)=O)OCC
InChIInChI=1S/C9H19O5P/c1-4-13-15(11,14-5-2)8-6-7-12-9(3)10/h4-8H2,1-3H3
InChIKeyRRFYWUJZEPKTHW-UHFFFAOYSA-N
XLogP2.21
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Triethyl phosphonoacetate
CID 13345
Dimethyl (2-acetoxyethyl)phosphonate
CID 198200
Methyl diethylphosphonoacetate
CID 66113
Triethyl 2-phosphonopropionate
CID 107155
tert-Butyl diethylphosphonoacetate
CID 2773685
Phosphonic acid, (3-(acetyloxy)propyl)-, dimethyl ester
CID 217647
Ethyl (dimethoxyphosphinoyl)acetate
CID 67555
Ethyl 2-(diethoxyphosphoryl)butanoate
CID 229053
Triethyl 4-phosphonobutyrate
CID 281201
Diisopropyl (ethoxycarbonylmethyl)phosphonate
CID 1800506
Triethyl 2-fluoro-2-phosphonoacetate
CID 2734865
tert-Butyl Dimethylphosphonoacetate
CID 4564495

Frequently Asked Questions

What is the IUPAC name of 3-diethoxyphosphorylpropyl acetate?
The IUPAC name of 3-diethoxyphosphorylpropyl acetate (CID 11064437) is 3-diethoxyphosphorylpropyl acetate.
What is the SMILES notation for 3-diethoxyphosphorylpropyl acetate?
The canonical SMILES for 3-diethoxyphosphorylpropyl acetate is CCOP(=O)(CCCOC(C)=O)OCC.
What is the InChIKey of 3-diethoxyphosphorylpropyl acetate?
The InChIKey is RRFYWUJZEPKTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O5P/c1-4-13-15(11,14-5-2)8-6-7-12-9(3)10/h4-8H2,1-3H3.
What are the key properties of 3-diethoxyphosphorylpropyl acetate?
3-diethoxyphosphorylpropyl acetate has a molecular weight of 238.22 g/mol, XLogP of 2.21, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diethoxyphosphorylpropyl acetate is sourced from PubChem (CID 11064437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).