1-chloro-2-[ethenyl(methyl)phosphoryl]oxyethane

C5H10ClO2P — CID 14512990

IUPAC1-chloro-2-[ethenyl(methyl)phosphoryl]oxyethane
SMILESC=CP(C)(=O)OCCCl
InChIInChI=1S/C5H10ClO2P/c1-3-9(2,7)8-5-4-6/h3H,1,4-5H2,2H3
InChIKeyFUKKAIWQJRRCIQ-UHFFFAOYSA-N
MW168.56 g/mol
LogP2.29
Rot. Bonds4

About 1-chloro-2-[ethenyl(methyl)phosphoryl]oxyethane

1-chloro-2-[ethenyl(methyl)phosphoryl]oxyethane (PubChem CID 14512990) has the molecular formula C5H10ClO2P and a molecular weight of 168.56 g/mol. Its IUPAC name is 1-chloro-2-[ethenyl(methyl)phosphoryl]oxyethane.

Molecular Properties

Compound Name1-chloro-2-[ethenyl(methyl)phosphoryl]oxyethane
PubChem CID14512990
Molecular FormulaC5H10ClO2P
Molecular Weight168.56 g/mol
Exact Mass168.01
IUPAC Name1-chloro-2-[ethenyl(methyl)phosphoryl]oxyethane
SMILESC=CP(C)(=O)OCCCl
InChIInChI=1S/C5H10ClO2P/c1-3-9(2,7)8-5-4-6/h3H,1,4-5H2,2H3
InChIKeyFUKKAIWQJRRCIQ-UHFFFAOYSA-N
XLogP2.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.56
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Phosphonic acid, P-ethenyl-, bis(2-chloroethyl) ester
CID 8296
2-Chloroethyl 2,2-dichloroethenyl ethylphosphonate
CID 44150837
1-Chloro-2-dimethylphosphoryloxyethane
CID 22748658
1-Chloro-2-[2-chloroethyl(methyl)phosphoryl]oxyethane
CID 13013868
2-Chloroethoxy(ethenyl)phosphinic acid
CID 20262119
1-[Chloromethyl(ethenyl)phosphoryl]oxyethane
CID 14973793
(Z)-1-chloro-2-diethoxyphosphorylethene
CID 21765863
1-[[Chloro(dideuterio)methyl]-ethenylphosphoryl]oxyethane
CID 10374860
1-Chloro-1-[ethoxy(methyl)phosphoryl]ethane
CID 10654742
1-Chloro-2-[ethyl(methyl)phosphoryl]oxyethane
CID 21602847
2-[2-Chloroethoxy(methyl)phosphoryl]prop-1-ene
CID 85955682
1-Chloro-2-[2-chloroethyl(ethyl)phosphoryl]oxyethane
CID 2784379

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[ethenyl(methyl)phosphoryl]oxyethane?
The IUPAC name of 1-chloro-2-[ethenyl(methyl)phosphoryl]oxyethane (CID 14512990) is 1-chloro-2-[ethenyl(methyl)phosphoryl]oxyethane.
What is the SMILES notation for 1-chloro-2-[ethenyl(methyl)phosphoryl]oxyethane?
The canonical SMILES for 1-chloro-2-[ethenyl(methyl)phosphoryl]oxyethane is C=CP(C)(=O)OCCCl.
What is the InChIKey of 1-chloro-2-[ethenyl(methyl)phosphoryl]oxyethane?
The InChIKey is FUKKAIWQJRRCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClO2P/c1-3-9(2,7)8-5-4-6/h3H,1,4-5H2,2H3.
What are the key properties of 1-chloro-2-[ethenyl(methyl)phosphoryl]oxyethane?
1-chloro-2-[ethenyl(methyl)phosphoryl]oxyethane has a molecular weight of 168.56 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[ethenyl(methyl)phosphoryl]oxyethane is sourced from PubChem (CID 14512990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).