1-[ethoxy(ethyl)phosphoryl]oxyethane

C6H14O3P- — CID 23416652

IUPAC1-[ethoxy(ethyl)phosphoryl]oxyethane
SMILESC[CH-]P(=O)(OCC)OCC
InChIInChI=1S/C6H14O3P/c1-4-8-10(7,6-3)9-5-2/h6H,4-5H2,1-3H3/q-1
InChIKeyHCKAVPVHBCJDAB-UHFFFAOYSA-N
MW165.15 g/mol
LogP2.43
Rot. Bonds5

About 1-[ethoxy(ethyl)phosphoryl]oxyethane

1-[ethoxy(ethyl)phosphoryl]oxyethane (PubChem CID 23416652) has the molecular formula C6H14O3P- and a molecular weight of 165.15 g/mol. Its IUPAC name is 1-[ethoxy(ethyl)phosphoryl]oxyethane.

Molecular Properties

Compound Name1-[ethoxy(ethyl)phosphoryl]oxyethane
PubChem CID23416652
Molecular FormulaC6H14O3P-
Molecular Weight165.15 g/mol
Exact Mass165.07
IUPAC Name1-[ethoxy(ethyl)phosphoryl]oxyethane
SMILESC[CH-]P(=O)(OCC)OCC
InChIInChI=1S/C6H14O3P/c1-4-8-10(7,6-3)9-5-2/h6H,4-5H2,1-3H3/q-1
InChIKeyHCKAVPVHBCJDAB-UHFFFAOYSA-N
XLogP2.43
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[[chloro(methyl)phosphoryl]methyl-ethoxyphosphoryl]oxyethane
CID 101210271
5-diethoxyphosphoryloxypentyl diethyl phosphate
CID 23412798
1,3-bis(diethylphosphoryloxy)propane
CID 23081880
aluminum;triethyl phosphate;phosphate
CID 174993171
1-[difluoromethyl(ethoxy)phosphoryl]oxyethane
CID 2758305
tetrasodium ethyl phosphate
CID 141178132
CID 131882906
CID 131882906
1-[ethoxy((114C)methyl)(14C)phosphoryl]oxyethane
CID 11062590
disodium;ethyl phosphate
CID 11970393
diaminophosphoryloxyethane
CID 12620494
CID 177007311
CID 177007311
ethoxy(fluoromethyl)phosphinic acid
CID 150160120

Frequently Asked Questions

What is the IUPAC name of 1-[ethoxy(ethyl)phosphoryl]oxyethane?
The IUPAC name of 1-[ethoxy(ethyl)phosphoryl]oxyethane (CID 23416652) is 1-[ethoxy(ethyl)phosphoryl]oxyethane.
What is the SMILES notation for 1-[ethoxy(ethyl)phosphoryl]oxyethane?
The canonical SMILES for 1-[ethoxy(ethyl)phosphoryl]oxyethane is C[CH-]P(=O)(OCC)OCC.
What is the InChIKey of 1-[ethoxy(ethyl)phosphoryl]oxyethane?
The InChIKey is HCKAVPVHBCJDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3P/c1-4-8-10(7,6-3)9-5-2/h6H,4-5H2,1-3H3/q-1.
What are the key properties of 1-[ethoxy(ethyl)phosphoryl]oxyethane?
1-[ethoxy(ethyl)phosphoryl]oxyethane has a molecular weight of 165.15 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethoxy(ethyl)phosphoryl]oxyethane is sourced from PubChem (CID 23416652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).