2,4-dimethyl-2-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]pentanoic acid;oxophosphanium

C22H34O4P+ — CID 158341965

IUPAC2,4-dimethyl-2-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]pentanoic acid;oxophosphanium
SMILESCc1cc(C)c(C(=O)C2(C(C)(CC(C)C)C(=O)O)CCCC2)c(C)c1.O=[PH2+]
InChIInChI=1S/C22H32O3.H2OP/c1-14(2)13-21(6,20(24)25)22(9-7-8-10-22)19(23)18-16(4)11-15(3)12-17(18)5;1-2/h11-12,14H,7-10,13H2,1-6H3,(H,24,25);2H2/q;+1
InChIKeyYAJVZDLDODJKCD-UHFFFAOYSA-N
MW393.48 g/mol
LogP5.70
Rot. Bonds6

About 2,4-dimethyl-2-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]pentanoic acid;oxophosphanium

2,4-dimethyl-2-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]pentanoic acid;oxophosphanium (PubChem CID 158341965) has the molecular formula C22H34O4P+ and a molecular weight of 393.48 g/mol. Its IUPAC name is 2,4-dimethyl-2-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]pentanoic acid;oxophosphanium.

Molecular Properties

Compound Name2,4-dimethyl-2-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]pentanoic acid;oxophosphanium
PubChem CID158341965
Molecular FormulaC22H34O4P+
Molecular Weight393.48 g/mol
Exact Mass393.22
IUPAC Name2,4-dimethyl-2-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]pentanoic acid;oxophosphanium
SMILESCc1cc(C)c(C(=O)C2(C(C)(CC(C)C)C(=O)O)CCCC2)c(C)c1.O=[PH2+]
InChIInChI=1S/C22H32O3.H2OP/c1-14(2)13-21(6,20(24)25)22(9-7-8-10-22)19(23)18-16(4)11-15(3)12-17(18)5;1-2/h11-12,14H,7-10,13H2,1-6H3,(H,24,25);2H2/q;+1
InChIKeyYAJVZDLDODJKCD-UHFFFAOYSA-N
XLogP5.70
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.48
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethyl-2-[1-(2,4,6-trimethylbenzoyl)cyclohexyl]hexanoic acid;oxophosphanium
CID 159044686
2-methyl-2-[1-(2,4,6-trimethylbenzoyl)cyclohexyl]octanoic acid
CID 159234446
3,3-dimethyl-2-[1-(2,4,6-trimethylbenzoyl)cyclohexyl]butanoic acid;oxophosphane
CID 174400566
2-methylpropyl-oxo-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]phosphanium
CID 173194882
3-methyl-2-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]butanoic acid
CID 158555018
butan-2-yl-oxo-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]phosphanium
CID 173194836
2-methoxyethyl 2-phosphoroso-2-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]propaneperoxoate
CID 87923325
butan-2-yl-oxo-[1-(2,4,6-trimethylbenzoyl)cyclohexyl]phosphanium
CID 173194990
oxophosphane;2-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]heptanoic acid
CID 174387002
(4-fluoro-2,6-dimethylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanone
CID 106877039
lithium (2,4,6-trimethylbenzoyl)-(2,4,4-trimethylpentyl)phosphanide
CID 58752987
[tert-butyl(2-methylpropyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 22183894

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]pentanoic acid;oxophosphanium?
The IUPAC name of 2,4-dimethyl-2-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]pentanoic acid;oxophosphanium (CID 158341965) is 2,4-dimethyl-2-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]pentanoic acid;oxophosphanium.
What is the SMILES notation for 2,4-dimethyl-2-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]pentanoic acid;oxophosphanium?
The canonical SMILES for 2,4-dimethyl-2-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]pentanoic acid;oxophosphanium is Cc1cc(C)c(C(=O)C2(C(C)(CC(C)C)C(=O)O)CCCC2)c(C)c1.O=[PH2+].
What is the InChIKey of 2,4-dimethyl-2-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]pentanoic acid;oxophosphanium?
The InChIKey is YAJVZDLDODJKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32O3.H2OP/c1-14(2)13-21(6,20(24)25)22(9-7-8-10-22)19(23)18-16(4)11-15(3)12-17(18)5;1-2/h11-12,14H,7-10,13H2,1-6H3,(H,24,25);2H2/q;+1.
What are the key properties of 2,4-dimethyl-2-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]pentanoic acid;oxophosphanium?
2,4-dimethyl-2-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]pentanoic acid;oxophosphanium has a molecular weight of 393.48 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-[1-(2,4,6-trimethylbenzoyl)cyclopentyl]pentanoic acid;oxophosphanium is sourced from PubChem (CID 158341965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).