2-methylpropyl 2-[cyclohexyl-(2,4,6-trimethylbenzoyl)phosphoryl]acetate

C22H33O4P — CID 174387844

IUPAC2-methylpropyl 2-[cyclohexyl-(2,4,6-trimethylbenzoyl)phosphoryl]acetate
SMILESCc1cc(C)c(C(=O)P(=O)(CC(=O)OCC(C)C)C2CCCCC2)c(C)c1
InChIInChI=1S/C22H33O4P/c1-15(2)13-26-20(23)14-27(25,19-9-7-6-8-10-19)22(24)21-17(4)11-16(3)12-18(21)5/h11-12,15,19H,6-10,13-14H2,1-5H3
InChIKeyIJRMCJAZVSKLAA-UHFFFAOYSA-N
MW392.48 g/mol
LogP5.65
Rot. Bonds7

About 2-methylpropyl 2-[cyclohexyl-(2,4,6-trimethylbenzoyl)phosphoryl]acetate

2-methylpropyl 2-[cyclohexyl-(2,4,6-trimethylbenzoyl)phosphoryl]acetate (PubChem CID 174387844) has the molecular formula C22H33O4P and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-methylpropyl 2-[cyclohexyl-(2,4,6-trimethylbenzoyl)phosphoryl]acetate.

Molecular Properties

Compound Name2-methylpropyl 2-[cyclohexyl-(2,4,6-trimethylbenzoyl)phosphoryl]acetate
PubChem CID174387844
Molecular FormulaC22H33O4P
Molecular Weight392.48 g/mol
Exact Mass392.21
IUPAC Name2-methylpropyl 2-[cyclohexyl-(2,4,6-trimethylbenzoyl)phosphoryl]acetate
SMILESCc1cc(C)c(C(=O)P(=O)(CC(=O)OCC(C)C)C2CCCCC2)c(C)c1
InChIInChI=1S/C22H33O4P/c1-15(2)13-26-20(23)14-27(25,19-9-7-6-8-10-19)22(24)21-17(4)11-16(3)12-18(21)5/h11-12,15,19H,6-10,13-14H2,1-5H3
InChIKeyIJRMCJAZVSKLAA-UHFFFAOYSA-N
XLogP5.65
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.48
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methylpropyl 2-[cyclohexyl-(2,4,6-trimethylbenzoyl)phosphoryl]acetate 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

tert-butyl 2-[cyclohexyl-(2,4,6-trimethylbenzoyl)phosphoryl]acetate
CID 174400565
[cyclohexyl-(2,6-dimethoxybenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 22183265
[2-(oxan-2-yloxy)ethyl-(2,4,6-trimethylbenzoyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 59218791
2-chloroethyl 2-bis(2,4,6-trimethylbenzoyl)phosphorylacetate
CID 140521276
2-methoxyethyl 2-cyclohexyl-3-oxo-3-(2,4,6-trimethylphenyl)propaneperoxoate;oxophosphanium
CID 162258784
[tert-butyl(2-methylpropyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 22183894
ethyl 4-bis(2,4,6-trimethylbenzoyl)phosphoryl-3-oxobutanoate
CID 66884379
butyl 2-cyclohexyl-3-oxo-3-(2,4,6-trimethylphenyl)propanoate;oxophosphanium
CID 162038245
bis(2-methylpropyl) 2-(1-cyclohexylethyl)propanedioate
CID 118088624
cyclododecyl 2,4,6-trimethylbenzenecarboperoxoate
CID 173265630
bis(2-methylpropyl) 2-[2-(3-methylbutyl)cyclohexyl]butanedioate
CID 146494217
methyl 4-bis(2,4,6-trimethylbenzoyl)phosphoryl-3-oxobutanoate
CID 66883972

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-[cyclohexyl-(2,4,6-trimethylbenzoyl)phosphoryl]acetate?
The IUPAC name of 2-methylpropyl 2-[cyclohexyl-(2,4,6-trimethylbenzoyl)phosphoryl]acetate (CID 174387844) is 2-methylpropyl 2-[cyclohexyl-(2,4,6-trimethylbenzoyl)phosphoryl]acetate.
What is the SMILES notation for 2-methylpropyl 2-[cyclohexyl-(2,4,6-trimethylbenzoyl)phosphoryl]acetate?
The canonical SMILES for 2-methylpropyl 2-[cyclohexyl-(2,4,6-trimethylbenzoyl)phosphoryl]acetate is Cc1cc(C)c(C(=O)P(=O)(CC(=O)OCC(C)C)C2CCCCC2)c(C)c1.
What is the InChIKey of 2-methylpropyl 2-[cyclohexyl-(2,4,6-trimethylbenzoyl)phosphoryl]acetate?
The InChIKey is IJRMCJAZVSKLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33O4P/c1-15(2)13-26-20(23)14-27(25,19-9-7-6-8-10-19)22(24)21-17(4)11-16(3)12-18(21)5/h11-12,15,19H,6-10,13-14H2,1-5H3.
What are the key properties of 2-methylpropyl 2-[cyclohexyl-(2,4,6-trimethylbenzoyl)phosphoryl]acetate?
2-methylpropyl 2-[cyclohexyl-(2,4,6-trimethylbenzoyl)phosphoryl]acetate has a molecular weight of 392.48 g/mol, XLogP of 5.65, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-[cyclohexyl-(2,4,6-trimethylbenzoyl)phosphoryl]acetate is sourced from PubChem (CID 174387844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).