CID 136846141

C16H21O5SSi — CID 136846141

IUPAC—
SMILESC[C@@H]1C[C@H](O[Si])C(C[C@@H]2O[C@@H]2S(=O)(=O)c2ccccc2)O[C@H]1C
InChIInChI=1S/C16H21O5SSi/c1-10-8-14(21-23)13(19-11(10)2)9-15-16(20-15)22(17,18)12-6-4-3-5-7-12/h3-7,10-11,13-16H,8-9H2,1-2H3/t10-,11+,13?,14+,15+,16-/m1/s1
InChIKeyXECVKCYFKXRZPC-DCLRAINNSA-N
MW353.49 g/mol
LogP1.86
Rot. Bonds5

About CID 136846141

CID 136846141 (PubChem CID 136846141) has the molecular formula C16H21O5SSi and a molecular weight of 353.49 g/mol.

Molecular Properties

Compound NameCID 136846141
PubChem CID136846141
Molecular FormulaC16H21O5SSi
Molecular Weight353.49 g/mol
Exact Mass353.09
IUPAC Name—
SMILESC[C@@H]1C[C@H](O[Si])C(C[C@@H]2O[C@@H]2S(=O)(=O)c2ccccc2)O[C@H]1C
InChIInChI=1S/C16H21O5SSi/c1-10-8-14(21-23)13(19-11(10)2)9-15-16(20-15)22(17,18)12-6-4-3-5-7-12/h3-7,10-11,13-16H,8-9H2,1-2H3/t10-,11+,13?,14+,15+,16-/m1/s1
InChIKeyXECVKCYFKXRZPC-DCLRAINNSA-N
XLogP1.86
TPSA65.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,4S,5R,6R)-2-(benzenesulfonyl)-6-methyl-3,4,5-tris(phenylmethoxy)oxane
CID 102061085
(2R,3R)-2-(benzenesulfonyl)-3-propyloxirane
CID 14532898
[(2R,3S)-2-[[3-(benzenesulfonyl)oxiran-2-yl]methyl]oxan-3-yl]oxy-tert-butyl-dimethylsilane
CID 102288079
[(2R)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-dimethylsilane
CID 10065485
[(2R,3S)-3-(benzenesulfonyl)oxiran-2-yl]methoxy-tert-butyl-diphenylsilane
CID 11762183
2-(4-phenoxyphenyl)sulfonyl-3-propyloxirane
CID 11515236
(2S,3R,4R,5S,6S)-2-methyl-6-(methylsulfonylmethyl)-3,4,5-tris(phenylmethoxy)oxane
CID 102092355
(2S,3S)-2-(benzenesulfonyl)-3-tert-butyloxirane
CID 101169297
(2R,3R)-2-(benzenesulfonyl)-3-(4-methylphenyl)oxirane
CID 135001050
[(3aR,4R,6S,6aS)-2,2,6-trimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]methyl benzenesulfonate
CID 134969755
3-(benzenesulfonyl)-N-ethylcyclopentan-1-amine
CID 64722834
6,7-bis(benzenesulfonyl)-3-oxatricyclo[3.2.1.02,4]octane
CID 14470256

Frequently Asked Questions

What is the IUPAC name of CID 136846141?
The IUPAC name of CID 136846141 (CID 136846141) is not available.
What is the SMILES notation for CID 136846141?
The canonical SMILES for CID 136846141 is C[C@@H]1C[C@H](O[Si])C(C[C@@H]2O[C@@H]2S(=O)(=O)c2ccccc2)O[C@H]1C.
What is the InChIKey of CID 136846141?
The InChIKey is XECVKCYFKXRZPC-DCLRAINNSA-N. The full InChI is InChI=1S/C16H21O5SSi/c1-10-8-14(21-23)13(19-11(10)2)9-15-16(20-15)22(17,18)12-6-4-3-5-7-12/h3-7,10-11,13-16H,8-9H2,1-2H3/t10-,11+,13?,14+,15+,16-/m1/s1.
What are the key properties of CID 136846141?
CID 136846141 has a molecular weight of 353.49 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136846141 is sourced from PubChem (CID 136846141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).