3-[2-chloroethoxy(ethyl)phosphoryl]prop-1-ene

C7H14ClO2P — CID 54213141

IUPAC3-[2-chloroethoxy(ethyl)phosphoryl]prop-1-ene
SMILESC=CCP(=O)(CC)OCCCl
InChIInChI=1S/C7H14ClO2P/c1-3-7-11(9,4-2)10-6-5-8/h3H,1,4-7H2,2H3
InChIKeyPXICVTJGMJTRLI-UHFFFAOYSA-N
MW196.61 g/mol
LogP2.73
Rot. Bonds6

About 3-[2-chloroethoxy(ethyl)phosphoryl]prop-1-ene

3-[2-chloroethoxy(ethyl)phosphoryl]prop-1-ene (PubChem CID 54213141) has the molecular formula C7H14ClO2P and a molecular weight of 196.61 g/mol. Its IUPAC name is 3-[2-chloroethoxy(ethyl)phosphoryl]prop-1-ene.

Molecular Properties

Compound Name3-[2-chloroethoxy(ethyl)phosphoryl]prop-1-ene
PubChem CID54213141
Molecular FormulaC7H14ClO2P
Molecular Weight196.61 g/mol
Exact Mass196.04
IUPAC Name3-[2-chloroethoxy(ethyl)phosphoryl]prop-1-ene
SMILESC=CCP(=O)(CC)OCCCl
InChIInChI=1S/C7H14ClO2P/c1-3-7-11(9,4-2)10-6-5-8/h3H,1,4-7H2,2H3
InChIKeyPXICVTJGMJTRLI-UHFFFAOYSA-N
XLogP2.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.61
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloroethoxy)-2,5-dihydro-1H-1lambda5-phosphol-1-one
CID 23270737
Methyl(vinyl)phosphinic acid 2-chloroethylester
CID 14512990
Bis(2-chloroethyl) prop-1-en-2-ylphosphonate
CID 21426241
(E)-3-chloro-1-diethoxyphosphorylprop-1-ene
CID 13953137
(E)-3-chloro-1-diethoxyphosphorylbut-1-ene
CID 14111830
4-Chloro-1-diethoxyphosphorylbuta-1,2-diene
CID 134836676
Diethyl (3-chloroallyl)phosphonate
CID 86010
(E)-1-chloro-3-diethoxyphosphorylprop-1-ene
CID 6537956
2-[2-Chloroethoxy(methyl)phosphoryl]prop-1-ene
CID 85955682
1-Chloro-3-[3-chloropropoxy(prop-1-enyl)phosphoryl]oxypropane
CID 237882
1-(2-Chloropropoxy)-2,5-dihydro-1lambda5-phosphole 1-oxide
CID 20317637
3-[Bis(2-chloroethoxy)phosphoryl]prop-1-ene
CID 21442637

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloroethoxy(ethyl)phosphoryl]prop-1-ene?
The IUPAC name of 3-[2-chloroethoxy(ethyl)phosphoryl]prop-1-ene (CID 54213141) is 3-[2-chloroethoxy(ethyl)phosphoryl]prop-1-ene.
What is the SMILES notation for 3-[2-chloroethoxy(ethyl)phosphoryl]prop-1-ene?
The canonical SMILES for 3-[2-chloroethoxy(ethyl)phosphoryl]prop-1-ene is C=CCP(=O)(CC)OCCCl.
What is the InChIKey of 3-[2-chloroethoxy(ethyl)phosphoryl]prop-1-ene?
The InChIKey is PXICVTJGMJTRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClO2P/c1-3-7-11(9,4-2)10-6-5-8/h3H,1,4-7H2,2H3.
What are the key properties of 3-[2-chloroethoxy(ethyl)phosphoryl]prop-1-ene?
3-[2-chloroethoxy(ethyl)phosphoryl]prop-1-ene has a molecular weight of 196.61 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloroethoxy(ethyl)phosphoryl]prop-1-ene is sourced from PubChem (CID 54213141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).