(2-methyl-1-phenylpropan-2-yl)silyl ethanesulfonate

C12H20O3SSi — CID 173057609

IUPAC(2-methyl-1-phenylpropan-2-yl)silyl ethanesulfonate
SMILESCCS(=O)(=O)O[SiH2]C(C)(C)Cc1ccccc1
InChIInChI=1S/C12H20O3SSi/c1-4-16(13,14)15-17-12(2,3)10-11-8-6-5-7-9-11/h5-9H,4,10,17H2,1-3H3
InChIKeyQQFRGANMBGHHJM-UHFFFAOYSA-N
MW272.44 g/mol
LogP1.88
Rot. Bonds6

About (2-methyl-1-phenylpropan-2-yl)silyl ethanesulfonate

(2-methyl-1-phenylpropan-2-yl)silyl ethanesulfonate (PubChem CID 173057609) has the molecular formula C12H20O3SSi and a molecular weight of 272.44 g/mol. Its IUPAC name is (2-methyl-1-phenylpropan-2-yl)silyl ethanesulfonate.

Molecular Properties

Compound Name(2-methyl-1-phenylpropan-2-yl)silyl ethanesulfonate
PubChem CID173057609
Molecular FormulaC12H20O3SSi
Molecular Weight272.44 g/mol
Exact Mass272.09
IUPAC Name(2-methyl-1-phenylpropan-2-yl)silyl ethanesulfonate
SMILESCCS(=O)(=O)O[SiH2]C(C)(C)Cc1ccccc1
InChIInChI=1S/C12H20O3SSi/c1-4-16(13,14)15-17-12(2,3)10-11-8-6-5-7-9-11/h5-9H,4,10,17H2,1-3H3
InChIKeyQQFRGANMBGHHJM-UHFFFAOYSA-N
XLogP1.88
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-methyl-1-phenylpropan-2-yl)silyl ethanesulfonate 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

methoxy-(2-methyl-1-phenylpropan-2-yl)silane
CID 123240735
(2S)-2-[(2S)-2-amino-1-phenylpropan-2-yl]sulfonyl-1-phenylpropan-2-amine
CID 70047843
(2-benzyl-1,3-diphenylpropan-2-yl)silyl trifluoromethanesulfonate
CID 123161149
(2,2-dimethyl-3-phenylpropyl) sulfamate
CID 122528733
(2-methyl-1-phenylpropan-2-yl) trifluoromethanesulfonate
CID 87373674
2-methyl-1-phenylpropan-2-amine;sulfuric acid
CID 174984746
(2-ethyl-2-methylbutyl)benzene
CID 123641908
2-amino-1-phenylpropan-2-ol;sulfuric acid
CID 69452092
N-(ethylsulfamoyl)-2-methyl-1-phenylpropan-2-amine
CID 110628381
azane;ethyl 3-benzylpentane-3-sulfonate
CID 174743200
2-amino-1-phenylpropan-2-ol;sulfo hydrogen sulfate
CID 69452093
azane;2,2-dimethylbutylbenzene
CID 175285583

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1-phenylpropan-2-yl)silyl ethanesulfonate?
The IUPAC name of (2-methyl-1-phenylpropan-2-yl)silyl ethanesulfonate (CID 173057609) is (2-methyl-1-phenylpropan-2-yl)silyl ethanesulfonate.
What is the SMILES notation for (2-methyl-1-phenylpropan-2-yl)silyl ethanesulfonate?
The canonical SMILES for (2-methyl-1-phenylpropan-2-yl)silyl ethanesulfonate is CCS(=O)(=O)O[SiH2]C(C)(C)Cc1ccccc1.
What is the InChIKey of (2-methyl-1-phenylpropan-2-yl)silyl ethanesulfonate?
The InChIKey is QQFRGANMBGHHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3SSi/c1-4-16(13,14)15-17-12(2,3)10-11-8-6-5-7-9-11/h5-9H,4,10,17H2,1-3H3.
What are the key properties of (2-methyl-1-phenylpropan-2-yl)silyl ethanesulfonate?
(2-methyl-1-phenylpropan-2-yl)silyl ethanesulfonate has a molecular weight of 272.44 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1-phenylpropan-2-yl)silyl ethanesulfonate is sourced from PubChem (CID 173057609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).