1,3-dichloro-2-[chloro(1,3-dichloroprop-1-en-2-yloxy)phosphoryl]oxyprop-1-ene

C6H6Cl5O3P — CID 2785374

IUPAC1,3-dichloro-2-[chloro(1,3-dichloroprop-1-en-2-yloxy)phosphoryl]oxyprop-1-ene
SMILESO=P(Cl)(OC(=CCl)CCl)OC(=CCl)CCl
InChIInChI=1S/C6H6Cl5O3P/c7-1-5(2-8)13-15(11,12)14-6(3-9)4-10/h1,3H,2,4H2
InChIKeyMFHCJCSYHSBGOC-UHFFFAOYSA-N
MW334.35 g/mol
LogP5.00
Rot. Bonds6

About 1,3-dichloro-2-[chloro(1,3-dichloroprop-1-en-2-yloxy)phosphoryl]oxyprop-1-ene

1,3-dichloro-2-[chloro(1,3-dichloroprop-1-en-2-yloxy)phosphoryl]oxyprop-1-ene (PubChem CID 2785374) has the molecular formula C6H6Cl5O3P and a molecular weight of 334.35 g/mol. Its IUPAC name is 1,3-dichloro-2-[chloro(1,3-dichloroprop-1-en-2-yloxy)phosphoryl]oxyprop-1-ene.

Molecular Properties

Compound Name1,3-dichloro-2-[chloro(1,3-dichloroprop-1-en-2-yloxy)phosphoryl]oxyprop-1-ene
PubChem CID2785374
Molecular FormulaC6H6Cl5O3P
Molecular Weight334.35 g/mol
Exact Mass331.85
IUPAC Name1,3-dichloro-2-[chloro(1,3-dichloroprop-1-en-2-yloxy)phosphoryl]oxyprop-1-ene
SMILESO=P(Cl)(OC(=CCl)CCl)OC(=CCl)CCl
InChIInChI=1S/C6H6Cl5O3P/c7-1-5(2-8)13-15(11,12)14-6(3-9)4-10/h1,3H,2,4H2
InChIKeyMFHCJCSYHSBGOC-UHFFFAOYSA-N
XLogP5.00
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.35
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-chloro-2-[chloro(ethoxy)phosphoryl]oxyprop-1-ene
CID 23262846
chloro-[(Z)-1,3-dichloroprop-1-en-2-yl]oxy-ethoxyphosphane
CID 23262838
1-chloroprop-1-en-2-yl diethyl phosphate
CID 23272667
ethyl 4-(2-chloro-1-dichlorophosphoryloxyethenyl)benzoate
CID 72649322
(1E)-1,2-dichloro-3-(chloromethyl)buta-1,3-diene
CID 13213505
(Z)-5-chloro-4-methoxypent-3-en-2-one
CID 55298173
(Z)-1,3-dichloroprop-1-en-2-amine
CID 143383463
(Z)-1,2-dichloro-1-diethoxyphosphorylethene
CID 12525125
dichlorophosphinic acid;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 175359179
2-chloroacetic acid;silver
CID 87585147
dichlorophosphorylmethanol
CID 130324841

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-[chloro(1,3-dichloroprop-1-en-2-yloxy)phosphoryl]oxyprop-1-ene?
The IUPAC name of 1,3-dichloro-2-[chloro(1,3-dichloroprop-1-en-2-yloxy)phosphoryl]oxyprop-1-ene (CID 2785374) is 1,3-dichloro-2-[chloro(1,3-dichloroprop-1-en-2-yloxy)phosphoryl]oxyprop-1-ene.
What is the SMILES notation for 1,3-dichloro-2-[chloro(1,3-dichloroprop-1-en-2-yloxy)phosphoryl]oxyprop-1-ene?
The canonical SMILES for 1,3-dichloro-2-[chloro(1,3-dichloroprop-1-en-2-yloxy)phosphoryl]oxyprop-1-ene is O=P(Cl)(OC(=CCl)CCl)OC(=CCl)CCl.
What is the InChIKey of 1,3-dichloro-2-[chloro(1,3-dichloroprop-1-en-2-yloxy)phosphoryl]oxyprop-1-ene?
The InChIKey is MFHCJCSYHSBGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl5O3P/c7-1-5(2-8)13-15(11,12)14-6(3-9)4-10/h1,3H,2,4H2.
What are the key properties of 1,3-dichloro-2-[chloro(1,3-dichloroprop-1-en-2-yloxy)phosphoryl]oxyprop-1-ene?
1,3-dichloro-2-[chloro(1,3-dichloroprop-1-en-2-yloxy)phosphoryl]oxyprop-1-ene has a molecular weight of 334.35 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-[chloro(1,3-dichloroprop-1-en-2-yloxy)phosphoryl]oxyprop-1-ene is sourced from PubChem (CID 2785374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).