dimethyl(phenyl)phosphane;ethane;phosphoryl trichloride

C10H17Cl3OP2 — CID 91487887

IUPACdimethyl(phenyl)phosphane;ethane;phosphoryl trichloride
SMILESCC.CP(C)c1ccccc1.O=P(Cl)(Cl)Cl
InChIInChI=1S/C8H11P.C2H6.Cl3OP/c1-9(2)8-6-4-3-5-7-8;1-2;1-5(2,3)4/h3-7H,1-2H3;1-2H3;
InChIKeyJJOOTQMWLCFUNU-UHFFFAOYSA-N
MW321.55 g/mol
LogP5.89
Rot. Bonds1

About dimethyl(phenyl)phosphane;ethane;phosphoryl trichloride

dimethyl(phenyl)phosphane;ethane;phosphoryl trichloride (PubChem CID 91487887) has the molecular formula C10H17Cl3OP2 and a molecular weight of 321.55 g/mol. Its IUPAC name is dimethyl(phenyl)phosphane;ethane;phosphoryl trichloride.

Molecular Properties

Compound Namedimethyl(phenyl)phosphane;ethane;phosphoryl trichloride
PubChem CID91487887
Molecular FormulaC10H17Cl3OP2
Molecular Weight321.55 g/mol
Exact Mass319.98
IUPAC Namedimethyl(phenyl)phosphane;ethane;phosphoryl trichloride
SMILESCC.CP(C)c1ccccc1.O=P(Cl)(Cl)Cl
InChIInChI=1S/C8H11P.C2H6.Cl3OP/c1-9(2)8-6-4-3-5-7-8;1-2;1-5(2,3)4/h3-7H,1-2H3;1-2H3;
InChIKeyJJOOTQMWLCFUNU-UHFFFAOYSA-N
XLogP5.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.55
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dimethyl(phenyl)phosphane;gold(1+);azide
CID 166731380
ethane;triphenylphosphane
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CID 138401813
[chloro(phenyl)phosphoryl]benzene;phosphoryl trichloride
CID 174876703
carbanide;bis(dimethyl(phenyl)phosphane);platinum(2+);propa-1,2-diene;hexafluorophosphate
CID 135082456
borane;methyl(diphenyl)phosphane
CID 13485169
dichlororuthenium;bis(methyl(diphenyl)phosphane)
CID 175433637
dimethoxyphosphoryl(diphenyl)phosphane
CID 23413893
[chloro(methoxy)phosphoryl]benzene;phosphoryl trichloride
CID 174937208
chloromethanone;iridium;bis(triphenylphosphane)
CID 87157780
[methyl(phenyl)phosphanyl]boranuide
CID 102383944
carbanide;gold(1+);methyl(diphenyl)phosphane
CID 87994939

Frequently Asked Questions

What is the IUPAC name of dimethyl(phenyl)phosphane;ethane;phosphoryl trichloride?
The IUPAC name of dimethyl(phenyl)phosphane;ethane;phosphoryl trichloride (CID 91487887) is dimethyl(phenyl)phosphane;ethane;phosphoryl trichloride.
What is the SMILES notation for dimethyl(phenyl)phosphane;ethane;phosphoryl trichloride?
The canonical SMILES for dimethyl(phenyl)phosphane;ethane;phosphoryl trichloride is CC.CP(C)c1ccccc1.O=P(Cl)(Cl)Cl.
What is the InChIKey of dimethyl(phenyl)phosphane;ethane;phosphoryl trichloride?
The InChIKey is JJOOTQMWLCFUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11P.C2H6.Cl3OP/c1-9(2)8-6-4-3-5-7-8;1-2;1-5(2,3)4/h3-7H,1-2H3;1-2H3;.
What are the key properties of dimethyl(phenyl)phosphane;ethane;phosphoryl trichloride?
dimethyl(phenyl)phosphane;ethane;phosphoryl trichloride has a molecular weight of 321.55 g/mol, XLogP of 5.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(phenyl)phosphane;ethane;phosphoryl trichloride is sourced from PubChem (CID 91487887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).