[5-oxo-5-[2,4,6-tri(propan-2-yl)phenyl]pentyl]phosphanide

C20H32OP- — CID 141022839

IUPAC[5-oxo-5-[2,4,6-tri(propan-2-yl)phenyl]pentyl]phosphanide
SMILESCC(C)c1cc(C(C)C)c(C(=O)CCCC[PH-])c(C(C)C)c1
InChIInChI=1S/C20H32OP/c1-13(2)16-11-17(14(3)4)20(18(12-16)15(5)6)19(21)9-7-8-10-22/h11-15,22H,7-10H2,1-6H3/q-1
InChIKeyWTKCZOJRWUOKRE-UHFFFAOYSA-N
MW319.45 g/mol
LogP6.55
Rot. Bonds8

About [5-oxo-5-[2,4,6-tri(propan-2-yl)phenyl]pentyl]phosphanide

[5-oxo-5-[2,4,6-tri(propan-2-yl)phenyl]pentyl]phosphanide (PubChem CID 141022839) has the molecular formula C20H32OP- and a molecular weight of 319.45 g/mol. Its IUPAC name is [5-oxo-5-[2,4,6-tri(propan-2-yl)phenyl]pentyl]phosphanide.

Molecular Properties

Compound Name[5-oxo-5-[2,4,6-tri(propan-2-yl)phenyl]pentyl]phosphanide
PubChem CID141022839
Molecular FormulaC20H32OP-
Molecular Weight319.45 g/mol
Exact Mass319.22
IUPAC Name[5-oxo-5-[2,4,6-tri(propan-2-yl)phenyl]pentyl]phosphanide
SMILESCC(C)c1cc(C(C)C)c(C(=O)CCCC[PH-])c(C(C)C)c1
InChIInChI=1S/C20H32OP/c1-13(2)16-11-17(14(3)4)20(18(12-16)15(5)6)19(21)9-7-8-10-22/h11-15,22H,7-10H2,1-6H3/q-1
InChIKeyWTKCZOJRWUOKRE-UHFFFAOYSA-N
XLogP6.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.45
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[2,4-di(propan-2-yl)phenyl]hexan-1-one
CID 43338073
1-[2,4-di(propan-2-yl)phenyl]octan-1-one
CID 63492659
lithium [5-oxo-5-(2,4,6-trichlorophenyl)pentyl]phosphanide
CID 141022914
[hexyl-[2,4,6-tri(propan-2-yl)benzoyl]phosphoryl]-[2,4,6-tri(propan-2-yl)phenyl]methanone
CID 19438147
3-hydroxypropyl 2,4,6-tri(propan-2-yl)benzoate
CID 165416683
N'-[2,4,6-tri(propan-2-yl)phenyl]sulfonylhexanehydrazide
CID 2213229
lithium;2-methanidylpropane;phosphanyl-[2,4,6-tri(propan-2-yl)phenyl]methanone
CID 174463953
lithium [5-(2,6-dichlorophenyl)-5-oxopentyl]phosphanide
CID 141023129
2-hydroxy-2-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]butane-1,3-dione
CID 10687054
4-[2,4,6-tri(propan-2-yl)benzoyl]benzoyl chloride
CID 15835314
2-ethyl-2-hydroperoxy-4-methyl-1-[2,4,6-tri(propan-2-yl)phenyl]pentane-1,3-dione
CID 101184353
1-(2,3,4-trihydroxy-5-propan-2-ylphenyl)undecan-1-one
CID 58626423

Frequently Asked Questions

What is the IUPAC name of [5-oxo-5-[2,4,6-tri(propan-2-yl)phenyl]pentyl]phosphanide?
The IUPAC name of [5-oxo-5-[2,4,6-tri(propan-2-yl)phenyl]pentyl]phosphanide (CID 141022839) is [5-oxo-5-[2,4,6-tri(propan-2-yl)phenyl]pentyl]phosphanide.
What is the SMILES notation for [5-oxo-5-[2,4,6-tri(propan-2-yl)phenyl]pentyl]phosphanide?
The canonical SMILES for [5-oxo-5-[2,4,6-tri(propan-2-yl)phenyl]pentyl]phosphanide is CC(C)c1cc(C(C)C)c(C(=O)CCCC[PH-])c(C(C)C)c1.
What is the InChIKey of [5-oxo-5-[2,4,6-tri(propan-2-yl)phenyl]pentyl]phosphanide?
The InChIKey is WTKCZOJRWUOKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32OP/c1-13(2)16-11-17(14(3)4)20(18(12-16)15(5)6)19(21)9-7-8-10-22/h11-15,22H,7-10H2,1-6H3/q-1.
What are the key properties of [5-oxo-5-[2,4,6-tri(propan-2-yl)phenyl]pentyl]phosphanide?
[5-oxo-5-[2,4,6-tri(propan-2-yl)phenyl]pentyl]phosphanide has a molecular weight of 319.45 g/mol, XLogP of 6.55, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-oxo-5-[2,4,6-tri(propan-2-yl)phenyl]pentyl]phosphanide is sourced from PubChem (CID 141022839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).