[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-phenylpentyl] 4-methylbenzenesulfonate

C24H36O4SSi — CID 10599605

IUPAC[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-phenylpentyl] 4-methylbenzenesulfonate
SMILESCc1ccc(S(=O)(=O)OCCC[C@@](C)(O[Si](C)(C)C(C)(C)C)c2ccccc2)cc1
InChIInChI=1S/C24H36O4SSi/c1-20-14-16-22(17-15-20)29(25,26)27-19-11-18-24(5,21-12-9-8-10-13-21)28-30(6,7)23(2,3)4/h8-10,12-17H,11,18-19H2,1-7H3/t24-/m1/s1
InChIKeyNRLYVWKOSUHBLH-XMMPIXPASA-N
MW448.70 g/mol
LogP6.42
Rot. Bonds9

About [(4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-phenylpentyl] 4-methylbenzenesulfonate

[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-phenylpentyl] 4-methylbenzenesulfonate (PubChem CID 10599605) has the molecular formula C24H36O4SSi and a molecular weight of 448.70 g/mol. Its IUPAC name is [(4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-phenylpentyl] 4-methylbenzenesulfonate.

Molecular Properties

Compound Name[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-phenylpentyl] 4-methylbenzenesulfonate
PubChem CID10599605
Molecular FormulaC24H36O4SSi
Molecular Weight448.70 g/mol
Exact Mass448.21
IUPAC Name[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-phenylpentyl] 4-methylbenzenesulfonate
SMILESCc1ccc(S(=O)(=O)OCCC[C@@](C)(O[Si](C)(C)C(C)(C)C)c2ccccc2)cc1
InChIInChI=1S/C24H36O4SSi/c1-20-14-16-22(17-15-20)29(25,26)27-19-11-18-24(5,21-12-9-8-10-13-21)28-30(6,7)23(2,3)4/h8-10,12-17H,11,18-19H2,1-7H3/t24-/m1/s1
InChIKeyNRLYVWKOSUHBLH-XMMPIXPASA-N
XLogP6.42
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.70
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze [(4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-phenylpentyl] 4-methylbenzenesulfonate 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

3-trityloxypropyl 4-methylbenzenesulfonate
CID 24824425
3-[tert-butyl(diphenyl)silyl]oxypropyl 4-methylbenzenesulfonate
CID 14616924
6-(tritylamino)hexyl 4-methylbenzenesulfonate
CID 11562580
4-[3-(3-trityloxypropoxy)propoxy]butyl 4-methylbenzenesulfonate
CID 140899110
2-[2-(4-methylphenyl)sulfonyloxyethyl-tritylamino]ethyl 4-methylbenzenesulfonate
CID 22495477
[2-[tert-butyl(dimethyl)silyl]oxy-1,1-dideuterioethyl] 4-methylbenzenesulfonate
CID 169435361
[3-methoxy-3-methyl-5-(4-methylphenyl)sulfonyloxypentyl] 4-methylbenzenesulfonate
CID 146296864
(5-ethyl-5-methylheptyl) 4-methylbenzenesulfonate
CID 20578043
(3-hydroxy-3-methyl-4-phenoxybutyl) 4-methylbenzenesulfonate
CID 88733247
2-[2-[2-[2-[2-[2-(11-tritylsulfanylundecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate
CID 86759933
5-[(2-methylpropan-2-yl)oxy]pentyl 4-methylbenzenesulfonate
CID 21424144
8-[tert-butyl(dimethyl)silyl]oct-7-ynyl 4-methylbenzenesulfonate
CID 170898267

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-phenylpentyl] 4-methylbenzenesulfonate?
The IUPAC name of [(4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-phenylpentyl] 4-methylbenzenesulfonate (CID 10599605) is [(4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-phenylpentyl] 4-methylbenzenesulfonate.
What is the SMILES notation for [(4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-phenylpentyl] 4-methylbenzenesulfonate?
The canonical SMILES for [(4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-phenylpentyl] 4-methylbenzenesulfonate is Cc1ccc(S(=O)(=O)OCCC[C@@](C)(O[Si](C)(C)C(C)(C)C)c2ccccc2)cc1.
What is the InChIKey of [(4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-phenylpentyl] 4-methylbenzenesulfonate?
The InChIKey is NRLYVWKOSUHBLH-XMMPIXPASA-N. The full InChI is InChI=1S/C24H36O4SSi/c1-20-14-16-22(17-15-20)29(25,26)27-19-11-18-24(5,21-12-9-8-10-13-21)28-30(6,7)23(2,3)4/h8-10,12-17H,11,18-19H2,1-7H3/t24-/m1/s1.
What are the key properties of [(4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-phenylpentyl] 4-methylbenzenesulfonate?
[(4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-phenylpentyl] 4-methylbenzenesulfonate has a molecular weight of 448.70 g/mol, XLogP of 6.42, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-[tert-butyl(dimethyl)silyl]oxy-4-phenylpentyl] 4-methylbenzenesulfonate is sourced from PubChem (CID 10599605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).