1-chloro-2-dimethylphosphoryloxyethane

C4H10ClO2P — CID 22748658

IUPAC1-chloro-2-dimethylphosphoryloxyethane
SMILESCP(C)(=O)OCCCl
InChIInChI=1S/C4H10ClO2P/c1-8(2,6)7-4-3-5/h3-4H2,1-2H3
InChIKeyYVTKMQLARDMZPY-UHFFFAOYSA-N
MW156.55 g/mol
LogP1.78
Rot. Bonds3

About 1-chloro-2-dimethylphosphoryloxyethane

1-chloro-2-dimethylphosphoryloxyethane (PubChem CID 22748658) has the molecular formula C4H10ClO2P and a molecular weight of 156.55 g/mol. Its IUPAC name is 1-chloro-2-dimethylphosphoryloxyethane.

Molecular Properties

Compound Name1-chloro-2-dimethylphosphoryloxyethane
PubChem CID22748658
Molecular FormulaC4H10ClO2P
Molecular Weight156.55 g/mol
Exact Mass156.01
IUPAC Name1-chloro-2-dimethylphosphoryloxyethane
SMILESCP(C)(=O)OCCCl
InChIInChI=1S/C4H10ClO2P/c1-8(2,6)7-4-3-5/h3-4H2,1-2H3
InChIKeyYVTKMQLARDMZPY-UHFFFAOYSA-N
XLogP1.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.55
LogP ≤ 51.78
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

Bis(2-chloroethyl) P-(2-chloroethyl)phosphonate
CID 80518
Diethyl (2-chloroethyl)phosphonate
CID 25250
Phosphonic acid, P-(chloromethyl)-, diethyl ester
CID 76633
Bis(2-chloroethyl) phosphite
CID 6336390
Bis(2-chloroethyl) methylphosphonate
CID 5018110
Ethyl (chloromethyl)(methyl)phosphinate
CID 10630760
Phosphonic acid, (2-chloroethyl)-, monoethyl ester
CID 211662
Diethyl ((2-chloroethoxy)methyl)phosphonate
CID 10014096
Bis(2-chloroethyl) chlorophosphate
CID 80182
Phosphoric acid, 2-chloroethyl diethyl ester
CID 12504207
Ethyl bis(chloromethyl)phosphinate
CID 518739
Diethyl P-(1-chloroethyl)phosphonate
CID 11830457

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-dimethylphosphoryloxyethane?
The IUPAC name of 1-chloro-2-dimethylphosphoryloxyethane (CID 22748658) is 1-chloro-2-dimethylphosphoryloxyethane.
What is the SMILES notation for 1-chloro-2-dimethylphosphoryloxyethane?
The canonical SMILES for 1-chloro-2-dimethylphosphoryloxyethane is CP(C)(=O)OCCCl.
What is the InChIKey of 1-chloro-2-dimethylphosphoryloxyethane?
The InChIKey is YVTKMQLARDMZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10ClO2P/c1-8(2,6)7-4-3-5/h3-4H2,1-2H3.
What are the key properties of 1-chloro-2-dimethylphosphoryloxyethane?
1-chloro-2-dimethylphosphoryloxyethane has a molecular weight of 156.55 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-dimethylphosphoryloxyethane is sourced from PubChem (CID 22748658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).