1-ethoxyethyl 2-diethoxyphosphorylacetate

C10H21O6P — CID 88781181

IUPAC1-ethoxyethyl 2-diethoxyphosphorylacetate
SMILESCCOC(C)OC(=O)CP(=O)(OCC)OCC
InChIInChI=1S/C10H21O6P/c1-5-13-9(4)16-10(11)8-17(12,14-6-2)15-7-3/h9H,5-8H2,1-4H3
InChIKeyLALJIZRCKFNLKJ-UHFFFAOYSA-N
MW268.25 g/mol
LogP2.18
Rot. Bonds9

About 1-ethoxyethyl 2-diethoxyphosphorylacetate

1-ethoxyethyl 2-diethoxyphosphorylacetate (PubChem CID 88781181) has the molecular formula C10H21O6P and a molecular weight of 268.25 g/mol. Its IUPAC name is 1-ethoxyethyl 2-diethoxyphosphorylacetate.

Molecular Properties

Compound Name1-ethoxyethyl 2-diethoxyphosphorylacetate
PubChem CID88781181
Molecular FormulaC10H21O6P
Molecular Weight268.25 g/mol
Exact Mass268.11
IUPAC Name1-ethoxyethyl 2-diethoxyphosphorylacetate
SMILESCCOC(C)OC(=O)CP(=O)(OCC)OCC
InChIInChI=1S/C10H21O6P/c1-5-13-9(4)16-10(11)8-17(12,14-6-2)15-7-3/h9H,5-8H2,1-4H3
InChIKeyLALJIZRCKFNLKJ-UHFFFAOYSA-N
XLogP2.18
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-diethoxyphosphorylacetate
CID 10911236
(3S)-1-diethoxyphosphoryl-3-hydroxybutan-2-one
CID 11481490
bis(1-ethoxyethyl) decanedioate
CID 87368848
2-diethoxyphosphoryl-N,N-diethylacetamide
CID 13124144
butyl 2-carbonochloridoyloxy-2-(2-diethoxyphosphorylacetyl)oxyacetate
CID 86583954
carbonic acid;1,1-diethoxyethane
CID 87827362
ethyl 2-[butoxy(ethoxy)phosphoryl]acetate
CID 87358827
decyl 2-diethoxyphosphorylacetate
CID 87375988
1-ethoxyethyl 2,2-bis(sulfanyl)acetate
CID 22183059
2-diethoxyphosphoryl-2-[methoxy-(2-oxo-2-propan-2-yloxyethyl)phosphoryl]oxyacetic acid
CID 91605330
ethyl 2-[ethoxy(ethylperoxy)phosphoryl]acetate
CID 87652447
1-diethoxyphosphoryl-3-ethoxypropan-2-one
CID 23262182

Frequently Asked Questions

What is the IUPAC name of 1-ethoxyethyl 2-diethoxyphosphorylacetate?
The IUPAC name of 1-ethoxyethyl 2-diethoxyphosphorylacetate (CID 88781181) is 1-ethoxyethyl 2-diethoxyphosphorylacetate.
What is the SMILES notation for 1-ethoxyethyl 2-diethoxyphosphorylacetate?
The canonical SMILES for 1-ethoxyethyl 2-diethoxyphosphorylacetate is CCOC(C)OC(=O)CP(=O)(OCC)OCC.
What is the InChIKey of 1-ethoxyethyl 2-diethoxyphosphorylacetate?
The InChIKey is LALJIZRCKFNLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21O6P/c1-5-13-9(4)16-10(11)8-17(12,14-6-2)15-7-3/h9H,5-8H2,1-4H3.
What are the key properties of 1-ethoxyethyl 2-diethoxyphosphorylacetate?
1-ethoxyethyl 2-diethoxyphosphorylacetate has a molecular weight of 268.25 g/mol, XLogP of 2.18, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxyethyl 2-diethoxyphosphorylacetate is sourced from PubChem (CID 88781181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).