1-[ethenoxy(ethyl)phosphoryl]ethane

C6H13O2P — CID 44720904

IUPAC1-[ethenoxy(ethyl)phosphoryl]ethane
SMILESC=COP(=O)(CC)CC
InChIInChI=1S/C6H13O2P/c1-4-8-9(7,5-2)6-3/h4H,1,5-6H2,2-3H3
InChIKeyGWWDTSBYKCXBOH-UHFFFAOYSA-N
MW148.14 g/mol
LogP2.46
Rot. Bonds4

About 1-[ethenoxy(ethyl)phosphoryl]ethane

1-[ethenoxy(ethyl)phosphoryl]ethane (PubChem CID 44720904) has the molecular formula C6H13O2P and a molecular weight of 148.14 g/mol. Its IUPAC name is 1-[ethenoxy(ethyl)phosphoryl]ethane.

Molecular Properties

Compound Name1-[ethenoxy(ethyl)phosphoryl]ethane
PubChem CID44720904
Molecular FormulaC6H13O2P
Molecular Weight148.14 g/mol
Exact Mass148.07
IUPAC Name1-[ethenoxy(ethyl)phosphoryl]ethane
SMILESC=COP(=O)(CC)CC
InChIInChI=1S/C6H13O2P/c1-4-8-9(7,5-2)6-3/h4H,1,5-6H2,2-3H3
InChIKeyGWWDTSBYKCXBOH-UHFFFAOYSA-N
XLogP2.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.14
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[ethenoxy(ethyl)phosphoryl]ethane?
The IUPAC name of 1-[ethenoxy(ethyl)phosphoryl]ethane (CID 44720904) is 1-[ethenoxy(ethyl)phosphoryl]ethane.
What is the SMILES notation for 1-[ethenoxy(ethyl)phosphoryl]ethane?
The canonical SMILES for 1-[ethenoxy(ethyl)phosphoryl]ethane is C=COP(=O)(CC)CC.
What is the InChIKey of 1-[ethenoxy(ethyl)phosphoryl]ethane?
The InChIKey is GWWDTSBYKCXBOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O2P/c1-4-8-9(7,5-2)6-3/h4H,1,5-6H2,2-3H3.
What are the key properties of 1-[ethenoxy(ethyl)phosphoryl]ethane?
1-[ethenoxy(ethyl)phosphoryl]ethane has a molecular weight of 148.14 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethenoxy(ethyl)phosphoryl]ethane is sourced from PubChem (CID 44720904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).