1-[ethenoxy(ethyl)phosphoryl]oxyethane

C6H13O3P — CID 57300316

IUPAC1-[ethenoxy(ethyl)phosphoryl]oxyethane
SMILESC=COP(=O)(CC)OCC
InChIInChI=1S/C6H13O3P/c1-4-8-10(7,6-3)9-5-2/h4H,1,5-6H2,2-3H3
InChIKeyNKEJLFPCGNPKFK-UHFFFAOYSA-N
MW164.14 g/mol
LogP2.40
Rot. Bonds5

About 1-[ethenoxy(ethyl)phosphoryl]oxyethane

1-[ethenoxy(ethyl)phosphoryl]oxyethane (PubChem CID 57300316) has the molecular formula C6H13O3P and a molecular weight of 164.14 g/mol. Its IUPAC name is 1-[ethenoxy(ethyl)phosphoryl]oxyethane.

Molecular Properties

Compound Name1-[ethenoxy(ethyl)phosphoryl]oxyethane
PubChem CID57300316
Molecular FormulaC6H13O3P
Molecular Weight164.14 g/mol
Exact Mass164.06
IUPAC Name1-[ethenoxy(ethyl)phosphoryl]oxyethane
SMILESC=COP(=O)(CC)OCC
InChIInChI=1S/C6H13O3P/c1-4-8-10(7,6-3)9-5-2/h4H,1,5-6H2,2-3H3
InChIKeyNKEJLFPCGNPKFK-UHFFFAOYSA-N
XLogP2.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.14
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

Diethyl ethylphosphonate
CID 6534
Diethyl vinylphosphonate
CID 69629
Dimethyl vinylphosphonate
CID 78376
Ethyl methyl ethylphosphonate
CID 79183
Diethyl allylphosphonate
CID 573014
Ethyl ethenylphosphonochloridate
CID 12673186
Diethyl vinyl phosphate
CID 573017
Methyl methylvinylphosphinate
CID 6454580
Diethyl propadienylphosphonate
CID 12716821
Phosphinic acid, diethenyl-, ethyl ester
CID 141574
Ethyl ethylphosphinate
CID 10374454
Dimethyl vinyl phosphate
CID 533982

Frequently Asked Questions

What is the IUPAC name of 1-[ethenoxy(ethyl)phosphoryl]oxyethane?
The IUPAC name of 1-[ethenoxy(ethyl)phosphoryl]oxyethane (CID 57300316) is 1-[ethenoxy(ethyl)phosphoryl]oxyethane.
What is the SMILES notation for 1-[ethenoxy(ethyl)phosphoryl]oxyethane?
The canonical SMILES for 1-[ethenoxy(ethyl)phosphoryl]oxyethane is C=COP(=O)(CC)OCC.
What is the InChIKey of 1-[ethenoxy(ethyl)phosphoryl]oxyethane?
The InChIKey is NKEJLFPCGNPKFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O3P/c1-4-8-10(7,6-3)9-5-2/h4H,1,5-6H2,2-3H3.
What are the key properties of 1-[ethenoxy(ethyl)phosphoryl]oxyethane?
1-[ethenoxy(ethyl)phosphoryl]oxyethane has a molecular weight of 164.14 g/mol, XLogP of 2.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethenoxy(ethyl)phosphoryl]oxyethane is sourced from PubChem (CID 57300316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).