[5-oxo-5-(2,3,5,6-tetrachlorophenyl)pentyl]phosphanide

C11H10Cl4OP- — CID 141023153

IUPAC[5-oxo-5-(2,3,5,6-tetrachlorophenyl)pentyl]phosphanide
SMILESO=C(CCCC[PH-])c1c(Cl)c(Cl)cc(Cl)c1Cl
InChIInChI=1S/C11H10Cl4OP/c12-6-5-7(13)11(15)9(10(6)14)8(16)3-1-2-4-17/h5,17H,1-4H2/q-1
InChIKeyDQGXEYUTDHSZHJ-UHFFFAOYSA-N
MW330.99 g/mol
LogP5.80
Rot. Bonds5

About [5-oxo-5-(2,3,5,6-tetrachlorophenyl)pentyl]phosphanide

[5-oxo-5-(2,3,5,6-tetrachlorophenyl)pentyl]phosphanide (PubChem CID 141023153) has the molecular formula C11H10Cl4OP- and a molecular weight of 330.99 g/mol. Its IUPAC name is [5-oxo-5-(2,3,5,6-tetrachlorophenyl)pentyl]phosphanide.

Molecular Properties

Compound Name[5-oxo-5-(2,3,5,6-tetrachlorophenyl)pentyl]phosphanide
PubChem CID141023153
Molecular FormulaC11H10Cl4OP-
Molecular Weight330.99 g/mol
Exact Mass328.92
IUPAC Name[5-oxo-5-(2,3,5,6-tetrachlorophenyl)pentyl]phosphanide
SMILESO=C(CCCC[PH-])c1c(Cl)c(Cl)cc(Cl)c1Cl
InChIInChI=1S/C11H10Cl4OP/c12-6-5-7(13)11(15)9(10(6)14)8(16)3-1-2-4-17/h5,17H,1-4H2/q-1
InChIKeyDQGXEYUTDHSZHJ-UHFFFAOYSA-N
XLogP5.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.99
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-oxo-5-(2,3,5,6-tetrachlorophenyl)pentyl]phosphanide?
The IUPAC name of [5-oxo-5-(2,3,5,6-tetrachlorophenyl)pentyl]phosphanide (CID 141023153) is [5-oxo-5-(2,3,5,6-tetrachlorophenyl)pentyl]phosphanide.
What is the SMILES notation for [5-oxo-5-(2,3,5,6-tetrachlorophenyl)pentyl]phosphanide?
The canonical SMILES for [5-oxo-5-(2,3,5,6-tetrachlorophenyl)pentyl]phosphanide is O=C(CCCC[PH-])c1c(Cl)c(Cl)cc(Cl)c1Cl.
What is the InChIKey of [5-oxo-5-(2,3,5,6-tetrachlorophenyl)pentyl]phosphanide?
The InChIKey is DQGXEYUTDHSZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl4OP/c12-6-5-7(13)11(15)9(10(6)14)8(16)3-1-2-4-17/h5,17H,1-4H2/q-1.
What are the key properties of [5-oxo-5-(2,3,5,6-tetrachlorophenyl)pentyl]phosphanide?
[5-oxo-5-(2,3,5,6-tetrachlorophenyl)pentyl]phosphanide has a molecular weight of 330.99 g/mol, XLogP of 5.80, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-oxo-5-(2,3,5,6-tetrachlorophenyl)pentyl]phosphanide is sourced from PubChem (CID 141023153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).