1-[ethoxy(ethyl)phosphoryl]oxyethane

C6H15O3P — CID 6534

IUPAC1-[ethoxy(ethyl)phosphoryl]oxyethane
SMILESCCOP(=O)(CC)OCC
InChIInChI=1S/C6H15O3P/c1-4-8-10(7,6-3)9-5-2/h4-6H2,1-3H3
InChIKeyAATNZNJRDOVKDD-UHFFFAOYSA-N
MW166.16 g/mol
LogP2.27
Rot. Bonds5

About 1-[ethoxy(ethyl)phosphoryl]oxyethane

1-[ethoxy(ethyl)phosphoryl]oxyethane (PubChem CID 6534) has the molecular formula C6H15O3P and a molecular weight of 166.16 g/mol. Its IUPAC name is 1-[ethoxy(ethyl)phosphoryl]oxyethane.

Molecular Properties

Compound Name1-[ethoxy(ethyl)phosphoryl]oxyethane
PubChem CID6534
Molecular FormulaC6H15O3P
Molecular Weight166.16 g/mol
Exact Mass166.08
IUPAC Name1-[ethoxy(ethyl)phosphoryl]oxyethane
SMILESCCOP(=O)(CC)OCC
InChIInChI=1S/C6H15O3P/c1-4-8-10(7,6-3)9-5-2/h4-6H2,1-3H3
InChIKeyAATNZNJRDOVKDD-UHFFFAOYSA-N
XLogP2.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.16
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Triethyl Phosphate
CID 6535
Diethyl hydrogen phosphite
CID 6327654
Diethyl chlorophosphate
CID 13139
Ethyl methylphosphonate
CID 449085
Diethyl methylphosphonate
CID 12685
Diethyl vinylphosphonate
CID 69629
Diethyl methylphosphonite
CID 85063
Dimethyl propylphosphonate
CID 87779
Ethyl methyl ethylphosphonate
CID 79183
Ethyl methylphosphinate
CID 6328184
Diethyl (iodomethyl)phosphonate
CID 82616
Diethyl propylphosphonate
CID 140428

Frequently Asked Questions

What is the IUPAC name of 1-[ethoxy(ethyl)phosphoryl]oxyethane?
The IUPAC name of 1-[ethoxy(ethyl)phosphoryl]oxyethane (CID 6534) 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 CCOP(=O)(CC)OCC.
What is the InChIKey of 1-[ethoxy(ethyl)phosphoryl]oxyethane?
The InChIKey is AATNZNJRDOVKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O3P/c1-4-8-10(7,6-3)9-5-2/h4-6H2,1-3H3.
What are the key properties of 1-[ethoxy(ethyl)phosphoryl]oxyethane?
1-[ethoxy(ethyl)phosphoryl]oxyethane has a molecular weight of 166.16 g/mol, XLogP of 2.27, 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 6534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).