oxasilinan-2-yl(phenyl)methanesulfonic acid

C11H16O4SSi — CID 173345957

IUPACoxasilinan-2-yl(phenyl)methanesulfonic acid
SMILESO=S(=O)(O)C(c1ccccc1)[SiH]1CCCCO1
InChIInChI=1S/C11H16O4SSi/c12-16(13,14)11(10-6-2-1-3-7-10)17-9-5-4-8-15-17/h1-3,6-7,11,17H,4-5,8-9H2,(H,12,13,14)
InChIKeyDILXLANUJCCCIQ-UHFFFAOYSA-N
MW272.40 g/mol
LogP1.69
Rot. Bonds3

About oxasilinan-2-yl(phenyl)methanesulfonic acid

oxasilinan-2-yl(phenyl)methanesulfonic acid (PubChem CID 173345957) has the molecular formula C11H16O4SSi and a molecular weight of 272.40 g/mol. Its IUPAC name is oxasilinan-2-yl(phenyl)methanesulfonic acid.

Molecular Properties

Compound Nameoxasilinan-2-yl(phenyl)methanesulfonic acid
PubChem CID173345957
Molecular FormulaC11H16O4SSi
Molecular Weight272.40 g/mol
Exact Mass272.05
IUPAC Nameoxasilinan-2-yl(phenyl)methanesulfonic acid
SMILESO=S(=O)(O)C(c1ccccc1)[SiH]1CCCCO1
InChIInChI=1S/C11H16O4SSi/c12-16(13,14)11(10-6-2-1-3-7-10)17-9-5-4-8-15-17/h1-3,6-7,11,17H,4-5,8-9H2,(H,12,13,14)
InChIKeyDILXLANUJCCCIQ-UHFFFAOYSA-N
XLogP1.69
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-[chloro(phenyl)methyl]oxasilinane
CID 132988306
benzene;2-phenyloxasilinane
CID 174878349
phenyl(phosphanyl)methanesulfonic acid
CID 150026989
1-phenylethanesulfonic acid
CID 10997746
sodium;hydride;phenylmethanedisulfonic acid
CID 174651306
2-methyloxasilinane;phenol
CID 175061732
(1R,2S)-2-amino-1-phenylpropane-1-sulfonic acid
CID 96955814
(1R,2R)-2-amino-1-phenylpropane-1-sulfonic acid
CID 50914072
1-phenylethanesulfonic acid;hydrochloride
CID 174640646
2-methyloxasilinane;toluene
CID 174549211
phenylmethanediamine;sulfuric acid
CID 173298028
1-(oxasilinan-2-yl)ethane-1,2-diol
CID 173483101

Frequently Asked Questions

What is the IUPAC name of oxasilinan-2-yl(phenyl)methanesulfonic acid?
The IUPAC name of oxasilinan-2-yl(phenyl)methanesulfonic acid (CID 173345957) is oxasilinan-2-yl(phenyl)methanesulfonic acid.
What is the SMILES notation for oxasilinan-2-yl(phenyl)methanesulfonic acid?
The canonical SMILES for oxasilinan-2-yl(phenyl)methanesulfonic acid is O=S(=O)(O)C(c1ccccc1)[SiH]1CCCCO1.
What is the InChIKey of oxasilinan-2-yl(phenyl)methanesulfonic acid?
The InChIKey is DILXLANUJCCCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4SSi/c12-16(13,14)11(10-6-2-1-3-7-10)17-9-5-4-8-15-17/h1-3,6-7,11,17H,4-5,8-9H2,(H,12,13,14).
What are the key properties of oxasilinan-2-yl(phenyl)methanesulfonic acid?
oxasilinan-2-yl(phenyl)methanesulfonic acid has a molecular weight of 272.40 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxasilinan-2-yl(phenyl)methanesulfonic acid is sourced from PubChem (CID 173345957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).