3-(diethoxyphosphorylmethoxy)prop-1-ene

C8H17O4P — CID 11745836

IUPAC3-(diethoxyphosphorylmethoxy)prop-1-ene
SMILESC=CCOCP(=O)(OCC)OCC
InChIInChI=1S/C8H17O4P/c1-4-7-10-8-13(9,11-5-2)12-6-3/h4H,1,5-8H2,2-3H3
InChIKeyHPNNWVDRZWKNEV-UHFFFAOYSA-N
MW208.19 g/mol
LogP2.41
Rot. Bonds8

About 3-(diethoxyphosphorylmethoxy)prop-1-ene

3-(diethoxyphosphorylmethoxy)prop-1-ene (PubChem CID 11745836) has the molecular formula C8H17O4P and a molecular weight of 208.19 g/mol. Its IUPAC name is 3-(diethoxyphosphorylmethoxy)prop-1-ene.

Molecular Properties

Compound Name3-(diethoxyphosphorylmethoxy)prop-1-ene
PubChem CID11745836
Molecular FormulaC8H17O4P
Molecular Weight208.19 g/mol
Exact Mass208.09
IUPAC Name3-(diethoxyphosphorylmethoxy)prop-1-ene
SMILESC=CCOCP(=O)(OCC)OCC
InChIInChI=1S/C8H17O4P/c1-4-7-10-8-13(9,11-5-2)12-6-3/h4H,1,5-8H2,2-3H3
InChIKeyHPNNWVDRZWKNEV-UHFFFAOYSA-N
XLogP2.41
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(diethoxyphosphorylmethoxy)prop-1-ene?
The IUPAC name of 3-(diethoxyphosphorylmethoxy)prop-1-ene (CID 11745836) is 3-(diethoxyphosphorylmethoxy)prop-1-ene.
What is the SMILES notation for 3-(diethoxyphosphorylmethoxy)prop-1-ene?
The canonical SMILES for 3-(diethoxyphosphorylmethoxy)prop-1-ene is C=CCOCP(=O)(OCC)OCC.
What is the InChIKey of 3-(diethoxyphosphorylmethoxy)prop-1-ene?
The InChIKey is HPNNWVDRZWKNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O4P/c1-4-7-10-8-13(9,11-5-2)12-6-3/h4H,1,5-8H2,2-3H3.
What are the key properties of 3-(diethoxyphosphorylmethoxy)prop-1-ene?
3-(diethoxyphosphorylmethoxy)prop-1-ene has a molecular weight of 208.19 g/mol, XLogP of 2.41, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethoxyphosphorylmethoxy)prop-1-ene is sourced from PubChem (CID 11745836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).