chloro-[(Z)-1,3-dichloroprop-1-en-2-yl]oxy-ethoxyphosphane

C5H8Cl3O2P — CID 23262838

IUPACchloro-[(Z)-1,3-dichloroprop-1-en-2-yl]oxy-ethoxyphosphane
SMILESCCOP(Cl)O/C(=C\Cl)CCl
InChIInChI=1S/C5H8Cl3O2P/c1-2-9-11(8)10-5(3-6)4-7/h3H,2,4H2,1H3/b5-3-
InChIKeyNHUIPPFXPNYGMG-HYXAFXHYSA-N
MW237.45 g/mol
LogP3.82
Rot. Bonds5

About chloro-[(Z)-1,3-dichloroprop-1-en-2-yl]oxy-ethoxyphosphane

chloro-[(Z)-1,3-dichloroprop-1-en-2-yl]oxy-ethoxyphosphane (PubChem CID 23262838) has the molecular formula C5H8Cl3O2P and a molecular weight of 237.45 g/mol. Its IUPAC name is chloro-[(Z)-1,3-dichloroprop-1-en-2-yl]oxy-ethoxyphosphane.

Molecular Properties

Compound Namechloro-[(Z)-1,3-dichloroprop-1-en-2-yl]oxy-ethoxyphosphane
PubChem CID23262838
Molecular FormulaC5H8Cl3O2P
Molecular Weight237.45 g/mol
Exact Mass235.93
IUPAC Namechloro-[(Z)-1,3-dichloroprop-1-en-2-yl]oxy-ethoxyphosphane
SMILESCCOP(Cl)O/C(=C\Cl)CCl
InChIInChI=1S/C5H8Cl3O2P/c1-2-9-11(8)10-5(3-6)4-7/h3H,2,4H2,1H3/b5-3-
InChIKeyNHUIPPFXPNYGMG-HYXAFXHYSA-N
XLogP3.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.45
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[(E)-1,3-dichloroprop-1-en-2-yl] dipropyl phosphate
CID 15584602
1,3-dichloro-2-[chloro(1,3-dichloroprop-1-en-2-yloxy)phosphoryl]oxyprop-1-ene
CID 2785374
bis(ethenyl)-ethoxyphosphane
CID 130251440
diethyl hydrogen phosphite
CID 12977
ethyl dihydrogen phosphite;dihydrochloride
CID 88746637
dichloro(propoxy)phosphane
CID 536189
dichloromethane;ethoxyethane;methanol;hydrochloride
CID 131723053
diethyl hydrogen phosphite;mercury
CID 54602640
phosphorous acid;triethyl phosphite
CID 174300225
(Z)-5-chloro-4-methoxypent-3-en-2-one
CID 55298173
(dichloromethane);ethanol
CID 173133472
bromoethene;diethyl hydrogen phosphite
CID 88780762

Frequently Asked Questions

What is the IUPAC name of chloro-[(Z)-1,3-dichloroprop-1-en-2-yl]oxy-ethoxyphosphane?
The IUPAC name of chloro-[(Z)-1,3-dichloroprop-1-en-2-yl]oxy-ethoxyphosphane (CID 23262838) is chloro-[(Z)-1,3-dichloroprop-1-en-2-yl]oxy-ethoxyphosphane.
What is the SMILES notation for chloro-[(Z)-1,3-dichloroprop-1-en-2-yl]oxy-ethoxyphosphane?
The canonical SMILES for chloro-[(Z)-1,3-dichloroprop-1-en-2-yl]oxy-ethoxyphosphane is CCOP(Cl)O/C(=C\Cl)CCl.
What is the InChIKey of chloro-[(Z)-1,3-dichloroprop-1-en-2-yl]oxy-ethoxyphosphane?
The InChIKey is NHUIPPFXPNYGMG-HYXAFXHYSA-N. The full InChI is InChI=1S/C5H8Cl3O2P/c1-2-9-11(8)10-5(3-6)4-7/h3H,2,4H2,1H3/b5-3-.
What are the key properties of chloro-[(Z)-1,3-dichloroprop-1-en-2-yl]oxy-ethoxyphosphane?
chloro-[(Z)-1,3-dichloroprop-1-en-2-yl]oxy-ethoxyphosphane has a molecular weight of 237.45 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[(Z)-1,3-dichloroprop-1-en-2-yl]oxy-ethoxyphosphane is sourced from PubChem (CID 23262838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).