1-chloro-1-[ethoxy(methyl)phosphoryl]ethene

C5H10ClO2P — CID 14978789

IUPAC1-chloro-1-[ethoxy(methyl)phosphoryl]ethene
SMILESC=C(Cl)P(C)(=O)OCC
InChIInChI=1S/C5H10ClO2P/c1-4-8-9(3,7)5(2)6/h2,4H2,1,3H3
InChIKeyNQEYOWQIUXDMOL-UHFFFAOYSA-N
MW168.56 g/mol
LogP2.64
Rot. Bonds3

About 1-chloro-1-[ethoxy(methyl)phosphoryl]ethene

1-chloro-1-[ethoxy(methyl)phosphoryl]ethene (PubChem CID 14978789) has the molecular formula C5H10ClO2P and a molecular weight of 168.56 g/mol. Its IUPAC name is 1-chloro-1-[ethoxy(methyl)phosphoryl]ethene.

Molecular Properties

Compound Name1-chloro-1-[ethoxy(methyl)phosphoryl]ethene
PubChem CID14978789
Molecular FormulaC5H10ClO2P
Molecular Weight168.56 g/mol
Exact Mass168.01
IUPAC Name1-chloro-1-[ethoxy(methyl)phosphoryl]ethene
SMILESC=C(Cl)P(C)(=O)OCC
InChIInChI=1S/C5H10ClO2P/c1-4-8-9(3,7)5(2)6/h2,4H2,1,3H3
InChIKeyNQEYOWQIUXDMOL-UHFFFAOYSA-N
XLogP2.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.56
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 12525126
CID 12525126
CID 148260
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CID 12525122
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CID 10798622
CID 10798622
CID 14973793
CID 14973793
CID 129807987
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CID 129878832
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CID 10057783
CID 10057783

Frequently Asked Questions

What is the IUPAC name of 1-chloro-1-[ethoxy(methyl)phosphoryl]ethene?
The IUPAC name of 1-chloro-1-[ethoxy(methyl)phosphoryl]ethene (CID 14978789) is 1-chloro-1-[ethoxy(methyl)phosphoryl]ethene.
What is the SMILES notation for 1-chloro-1-[ethoxy(methyl)phosphoryl]ethene?
The canonical SMILES for 1-chloro-1-[ethoxy(methyl)phosphoryl]ethene is C=C(Cl)P(C)(=O)OCC.
What is the InChIKey of 1-chloro-1-[ethoxy(methyl)phosphoryl]ethene?
The InChIKey is NQEYOWQIUXDMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10ClO2P/c1-4-8-9(3,7)5(2)6/h2,4H2,1,3H3.
What are the key properties of 1-chloro-1-[ethoxy(methyl)phosphoryl]ethene?
1-chloro-1-[ethoxy(methyl)phosphoryl]ethene has a molecular weight of 168.56 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-[ethoxy(methyl)phosphoryl]ethene is sourced from PubChem (CID 14978789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).