oxo-(2,4,6-trimethylbenzoyl)-(2,2,4-trimethylundecan-6-yl)phosphanium

C24H40O2P+ — CID 173194779

IUPACoxo-(2,4,6-trimethylbenzoyl)-(2,2,4-trimethylundecan-6-yl)phosphanium
SMILESCCCCCC(CC(C)CC(C)(C)C)[P+](=O)C(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C24H40O2P/c1-9-10-11-12-21(15-18(3)16-24(6,7)8)27(26)23(25)22-19(4)13-17(2)14-20(22)5/h13-14,18,21H,9-12,15-16H2,1-8H3/q+1
InChIKeyGTSJWDITABUPPF-UHFFFAOYSA-N
MW391.56 g/mol
LogP7.99
Rot. Bonds10

About oxo-(2,4,6-trimethylbenzoyl)-(2,2,4-trimethylundecan-6-yl)phosphanium

oxo-(2,4,6-trimethylbenzoyl)-(2,2,4-trimethylundecan-6-yl)phosphanium (PubChem CID 173194779) has the molecular formula C24H40O2P+ and a molecular weight of 391.56 g/mol. Its IUPAC name is oxo-(2,4,6-trimethylbenzoyl)-(2,2,4-trimethylundecan-6-yl)phosphanium.

Molecular Properties

Compound Nameoxo-(2,4,6-trimethylbenzoyl)-(2,2,4-trimethylundecan-6-yl)phosphanium
PubChem CID173194779
Molecular FormulaC24H40O2P+
Molecular Weight391.56 g/mol
Exact Mass391.28
IUPAC Nameoxo-(2,4,6-trimethylbenzoyl)-(2,2,4-trimethylundecan-6-yl)phosphanium
SMILESCCCCCC(CC(C)CC(C)(C)C)[P+](=O)C(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C24H40O2P/c1-9-10-11-12-21(15-18(3)16-24(6,7)8)27(26)23(25)22-19(4)13-17(2)14-20(22)5/h13-14,18,21H,9-12,15-16H2,1-8H3/q+1
InChIKeyGTSJWDITABUPPF-UHFFFAOYSA-N
XLogP7.99
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.56
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze oxo-(2,4,6-trimethylbenzoyl)-(2,2,4-trimethylundecan-6-yl)phosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4,6,6-trimethyl-2-(2,4,6-trimethylbenzoyl)heptanoate
CID 22183690
butyl 4,6,6-trimethyl-2-(2,4,6-trimethylbenzoyl)heptanoate;oxophosphanium
CID 162162036
2,2,4-trimethylundecan-6-ol
CID 115784414
lithium (2,4,6-trimethylbenzoyl)-(2,4,4-trimethylpentyl)phosphanide
CID 58752987
[tert-butyl(2,4,4-trimethylpentyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 22183774
oxo-(4-phenylbutan-2-yl)-(2,4,6-trimethylbenzoyl)phosphanium
CID 174439247
[butan-2-yl(2,4,4-trimethylpentyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 22183485
octan-2-yl 2,4,6-trimethylbenzenecarboperoxoate
CID 173267626
2,2,4-trimethyltetradecane
CID 19913540
2,2,4-trimethylundecane
CID 57127021
3-methyl-1-(2,4,6-trimethylphenyl)hexan-1-one
CID 14871792
4,6,6-trimethyl-1-(2,4,6-trimethylphenyl)heptan-2-one
CID 114966057

Frequently Asked Questions

What is the IUPAC name of oxo-(2,4,6-trimethylbenzoyl)-(2,2,4-trimethylundecan-6-yl)phosphanium?
The IUPAC name of oxo-(2,4,6-trimethylbenzoyl)-(2,2,4-trimethylundecan-6-yl)phosphanium (CID 173194779) is oxo-(2,4,6-trimethylbenzoyl)-(2,2,4-trimethylundecan-6-yl)phosphanium.
What is the SMILES notation for oxo-(2,4,6-trimethylbenzoyl)-(2,2,4-trimethylundecan-6-yl)phosphanium?
The canonical SMILES for oxo-(2,4,6-trimethylbenzoyl)-(2,2,4-trimethylundecan-6-yl)phosphanium is CCCCCC(CC(C)CC(C)(C)C)[P+](=O)C(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of oxo-(2,4,6-trimethylbenzoyl)-(2,2,4-trimethylundecan-6-yl)phosphanium?
The InChIKey is GTSJWDITABUPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40O2P/c1-9-10-11-12-21(15-18(3)16-24(6,7)8)27(26)23(25)22-19(4)13-17(2)14-20(22)5/h13-14,18,21H,9-12,15-16H2,1-8H3/q+1.
What are the key properties of oxo-(2,4,6-trimethylbenzoyl)-(2,2,4-trimethylundecan-6-yl)phosphanium?
oxo-(2,4,6-trimethylbenzoyl)-(2,2,4-trimethylundecan-6-yl)phosphanium has a molecular weight of 391.56 g/mol, XLogP of 7.99, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-(2,4,6-trimethylbenzoyl)-(2,2,4-trimethylundecan-6-yl)phosphanium is sourced from PubChem (CID 173194779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).