2-[(1R,2R,3S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5-bis(triethylsilyloxy)cyclopentyl]ethyl 4-methylbenzenesulfonate

C43H68O6SSi3 — CID 11285802

IUPAC2-[(1R,2R,3S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5-bis(triethylsilyloxy)cyclopentyl]ethyl 4-methylbenzenesulfonate
SMILESCC[Si](CC)(CC)O[C@H]1C[C@@H](O[Si](CC)(CC)CC)[C@H](CCOS(=O)(=O)c2ccc(C)cc2)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C43H68O6SSi3/c1-11-51(12-2,13-3)48-41-33-42(49-52(14-4,15-5)16-6)40(39(41)31-32-46-50(44,45)36-29-27-35(7)28-30-36)34-47-53(43(8,9)10,37-23-19-17-20-24-37)38-25-21-18-22-26-38/h17-30,39-42H,11-16,31-34H2,1-10H3/t39-,40+,41-,42+/m1/s1
InChIKeyOAAMASKXSZOPLF-MGRWDVDISA-N
MW797.34 g/mol
LogP10.08
Rot. Bonds20

About 2-[(1R,2R,3S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5-bis(triethylsilyloxy)cyclopentyl]ethyl 4-methylbenzenesulfonate

2-[(1R,2R,3S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5-bis(triethylsilyloxy)cyclopentyl]ethyl 4-methylbenzenesulfonate (PubChem CID 11285802) has the molecular formula C43H68O6SSi3 and a molecular weight of 797.34 g/mol. Its IUPAC name is 2-[(1R,2R,3S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5-bis(triethylsilyloxy)cyclopentyl]ethyl 4-methylbenzenesulfonate.

Molecular Properties

Compound Name2-[(1R,2R,3S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5-bis(triethylsilyloxy)cyclopentyl]ethyl 4-methylbenzenesulfonate
PubChem CID11285802
Molecular FormulaC43H68O6SSi3
Molecular Weight797.34 g/mol
Exact Mass796.40
IUPAC Name2-[(1R,2R,3S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5-bis(triethylsilyloxy)cyclopentyl]ethyl 4-methylbenzenesulfonate
SMILESCC[Si](CC)(CC)O[C@H]1C[C@@H](O[Si](CC)(CC)CC)[C@H](CCOS(=O)(=O)c2ccc(C)cc2)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C43H68O6SSi3/c1-11-51(12-2,13-3)48-41-33-42(49-52(14-4,15-5)16-6)40(39(41)31-32-46-50(44,45)36-29-27-35(7)28-30-36)34-47-53(43(8,9)10,37-23-19-17-20-24-37)38-25-21-18-22-26-38/h17-30,39-42H,11-16,31-34H2,1-10H3/t39-,40+,41-,42+/m1/s1
InChIKeyOAAMASKXSZOPLF-MGRWDVDISA-N
XLogP10.08
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.34
LogP ≤ 510.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(1R,2R,3S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5-bis(triethylsilyloxy)cyclopentyl]ethyl 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

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R,3S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5-bis(triethylsilyloxy)cyclopentyl]ethyl 4-methylbenzenesulfonate?
The IUPAC name of 2-[(1R,2R,3S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5-bis(triethylsilyloxy)cyclopentyl]ethyl 4-methylbenzenesulfonate (CID 11285802) is 2-[(1R,2R,3S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5-bis(triethylsilyloxy)cyclopentyl]ethyl 4-methylbenzenesulfonate.
What is the SMILES notation for 2-[(1R,2R,3S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5-bis(triethylsilyloxy)cyclopentyl]ethyl 4-methylbenzenesulfonate?
The canonical SMILES for 2-[(1R,2R,3S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5-bis(triethylsilyloxy)cyclopentyl]ethyl 4-methylbenzenesulfonate is CC[Si](CC)(CC)O[C@H]1C[C@@H](O[Si](CC)(CC)CC)[C@H](CCOS(=O)(=O)c2ccc(C)cc2)[C@@H]1CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 2-[(1R,2R,3S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5-bis(triethylsilyloxy)cyclopentyl]ethyl 4-methylbenzenesulfonate?
The InChIKey is OAAMASKXSZOPLF-MGRWDVDISA-N. The full InChI is InChI=1S/C43H68O6SSi3/c1-11-51(12-2,13-3)48-41-33-42(49-52(14-4,15-5)16-6)40(39(41)31-32-46-50(44,45)36-29-27-35(7)28-30-36)34-47-53(43(8,9)10,37-23-19-17-20-24-37)38-25-21-18-22-26-38/h17-30,39-42H,11-16,31-34H2,1-10H3/t39-,40+,41-,42+/m1/s1.
What are the key properties of 2-[(1R,2R,3S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5-bis(triethylsilyloxy)cyclopentyl]ethyl 4-methylbenzenesulfonate?
2-[(1R,2R,3S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5-bis(triethylsilyloxy)cyclopentyl]ethyl 4-methylbenzenesulfonate has a molecular weight of 797.34 g/mol, XLogP of 10.08, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R,3S,5R)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3,5-bis(triethylsilyloxy)cyclopentyl]ethyl 4-methylbenzenesulfonate is sourced from PubChem (CID 11285802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).