[butan-2-yl(2,4,4-trimethylpentyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone

C22H37O2P — CID 22183485

IUPAC[butan-2-yl(2,4,4-trimethylpentyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
SMILESCCC(C)P(=O)(CC(C)CC(C)(C)C)C(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C22H37O2P/c1-10-19(6)25(24,14-16(3)13-22(7,8)9)21(23)20-17(4)11-15(2)12-18(20)5/h11-12,16,19H,10,13-14H2,1-9H3
InChIKeyXTXFPXRAFKDFNJ-UHFFFAOYSA-N
MW364.51 g/mol
LogP6.99
Rot. Bonds7

About [butan-2-yl(2,4,4-trimethylpentyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone

[butan-2-yl(2,4,4-trimethylpentyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone (PubChem CID 22183485) has the molecular formula C22H37O2P and a molecular weight of 364.51 g/mol. Its IUPAC name is [butan-2-yl(2,4,4-trimethylpentyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name[butan-2-yl(2,4,4-trimethylpentyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
PubChem CID22183485
Molecular FormulaC22H37O2P
Molecular Weight364.51 g/mol
Exact Mass364.25
IUPAC Name[butan-2-yl(2,4,4-trimethylpentyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
SMILESCCC(C)P(=O)(CC(C)CC(C)(C)C)C(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C22H37O2P/c1-10-19(6)25(24,14-16(3)13-22(7,8)9)21(23)20-17(4)11-15(2)12-18(20)5/h11-12,16,19H,10,13-14H2,1-9H3
InChIKeyXTXFPXRAFKDFNJ-UHFFFAOYSA-N
XLogP6.99
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.51
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[tert-butyl(2,4,4-trimethylpentyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 22183774
[tert-butyl(2-methylpropyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 22183894
4,6,6-trimethyl-1-(2,4,6-trimethylphenyl)heptan-2-one
CID 114966057
lithium (2,4,6-trimethylbenzoyl)-(2,4,4-trimethylpentyl)phosphanide
CID 58752987
ethyl 4,6,6-trimethyl-2-(2,4,6-trimethylbenzoyl)heptanoate
CID 22183690
2-[methyl(2-methylbutyl)amino]-1-(2,4,6-trimethylphenyl)ethanone
CID 43796188
[(2-methylpropan-2-yl)oxy-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 125497314
[chloro-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 90240714
lithium;hydride;(2,4,6-trimethylbenzoyl)phosphonic acid
CID 175208689
[benzoyl(ethyl)phosphoryl]-phenylmethanone;[(2,6-dimethoxybenzoyl)-ethylphosphoryl]-(2,6-dimethoxyphenyl)methanone;[(2,6-dimethoxybenzoyl)-(2,4,4-trimethylpentyl)phosphoryl]-(2,6-dimethoxyphenyl)methanone;1-[(2,6-dimethoxybenzoyl)-(2,4,4-trimethylpentyl)phosphoryl]propan-1-one;[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 161355770
1,3,5-trimethyl-2-[phenyl-[[phenyl-(2,4,6-trimethylphenyl)methyl]-(2,4,4-trimethylpentyl)phosphoryl]methyl]benzene
CID 152721389
[butyl(pentyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 22183541

Frequently Asked Questions

What is the IUPAC name of [butan-2-yl(2,4,4-trimethylpentyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of [butan-2-yl(2,4,4-trimethylpentyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone (CID 22183485) is [butan-2-yl(2,4,4-trimethylpentyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for [butan-2-yl(2,4,4-trimethylpentyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for [butan-2-yl(2,4,4-trimethylpentyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone is CCC(C)P(=O)(CC(C)CC(C)(C)C)C(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of [butan-2-yl(2,4,4-trimethylpentyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?
The InChIKey is XTXFPXRAFKDFNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37O2P/c1-10-19(6)25(24,14-16(3)13-22(7,8)9)21(23)20-17(4)11-15(2)12-18(20)5/h11-12,16,19H,10,13-14H2,1-9H3.
What are the key properties of [butan-2-yl(2,4,4-trimethylpentyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?
[butan-2-yl(2,4,4-trimethylpentyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone has a molecular weight of 364.51 g/mol, XLogP of 6.99, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [butan-2-yl(2,4,4-trimethylpentyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 22183485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).