3-[[tert-butyl(diphenyl)silyl]oxymethyl]thian-4-ol

C22H30O2SSi — CID 122207177

IUPAC3-[[tert-butyl(diphenyl)silyl]oxymethyl]thian-4-ol
SMILESCC(C)(C)[Si](OCC1CSCCC1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H30O2SSi/c1-22(2,3)26(19-10-6-4-7-11-19,20-12-8-5-9-13-20)24-16-18-17-25-15-14-21(18)23/h4-13,18,21,23H,14-17H2,1-3H3
InChIKeyQUHPNEZQHJQIKC-UHFFFAOYSA-N
MW386.63 g/mol
LogP3.68
Rot. Bonds5

About 3-[[tert-butyl(diphenyl)silyl]oxymethyl]thian-4-ol

3-[[tert-butyl(diphenyl)silyl]oxymethyl]thian-4-ol (PubChem CID 122207177) has the molecular formula C22H30O2SSi and a molecular weight of 386.63 g/mol. Its IUPAC name is 3-[[tert-butyl(diphenyl)silyl]oxymethyl]thian-4-ol.

Molecular Properties

Compound Name3-[[tert-butyl(diphenyl)silyl]oxymethyl]thian-4-ol
PubChem CID122207177
Molecular FormulaC22H30O2SSi
Molecular Weight386.63 g/mol
Exact Mass386.17
IUPAC Name3-[[tert-butyl(diphenyl)silyl]oxymethyl]thian-4-ol
SMILESCC(C)(C)[Si](OCC1CSCCC1O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H30O2SSi/c1-22(2,3)26(19-10-6-4-7-11-19,20-12-8-5-9-13-20)24-16-18-17-25-15-14-21(18)23/h4-13,18,21,23H,14-17H2,1-3H3
InChIKeyQUHPNEZQHJQIKC-UHFFFAOYSA-N
XLogP3.68
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.63
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[[tert-butyl(diphenyl)silyl]oxymethyl]thian-4-ol 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

(2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 174251063
2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclobutan-1-ol
CID 74035630
(2S,3S,4aR,6S,7S,8aS,9aR,10aR)-6,7-bis[[tert-butyl(diphenyl)silyl]oxymethyl]-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene-2,3-diol
CID 100959653
tert-butyl-[(2-methylcyclopentyl)methoxy]-diphenylsilane
CID 123161962
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-[(2-methylpropan-2-yl)oxy]cyclopentane-1,2-diol
CID 71138268
[(1R,2R)-2-(bromomethyl)cyclopentyl]methoxy-tert-butyl-diphenylsilane
CID 171429782
trans-(1R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-methylidenecyclopentan-1-ol
CID 101065622
(1S,2R,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-(2,2-diphenylethenyl)cyclobutan-1-ol
CID 10369362
(3R,5R)-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylidenethiolan-3-ol
CID 11383549
[(3S,4R)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-3-yl]methanol
CID 178119164
2-[2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]acetic acid
CID 146157316
4-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-methylcyclohexan-1-ol
CID 66761813

Frequently Asked Questions

What is the IUPAC name of 3-[[tert-butyl(diphenyl)silyl]oxymethyl]thian-4-ol?
The IUPAC name of 3-[[tert-butyl(diphenyl)silyl]oxymethyl]thian-4-ol (CID 122207177) is 3-[[tert-butyl(diphenyl)silyl]oxymethyl]thian-4-ol.
What is the SMILES notation for 3-[[tert-butyl(diphenyl)silyl]oxymethyl]thian-4-ol?
The canonical SMILES for 3-[[tert-butyl(diphenyl)silyl]oxymethyl]thian-4-ol is CC(C)(C)[Si](OCC1CSCCC1O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[[tert-butyl(diphenyl)silyl]oxymethyl]thian-4-ol?
The InChIKey is QUHPNEZQHJQIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O2SSi/c1-22(2,3)26(19-10-6-4-7-11-19,20-12-8-5-9-13-20)24-16-18-17-25-15-14-21(18)23/h4-13,18,21,23H,14-17H2,1-3H3.
What are the key properties of 3-[[tert-butyl(diphenyl)silyl]oxymethyl]thian-4-ol?
3-[[tert-butyl(diphenyl)silyl]oxymethyl]thian-4-ol has a molecular weight of 386.63 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[tert-butyl(diphenyl)silyl]oxymethyl]thian-4-ol is sourced from PubChem (CID 122207177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).