CID 175797293

C3H8O4SSi — CID 175797293

IUPAC—
SMILESO=S(=O)(O)CCCO.[Si]
InChIInChI=1S/C3H8O4S.Si/c4-2-1-3-8(5,6)7;/h4H,1-3H2,(H,5,6,7);
InChIKeyMPIODZUUCLTESI-UHFFFAOYSA-N
MW168.25 g/mol
LogP-1.12
Rot. Bonds3

About CID 175797293

CID 175797293 (PubChem CID 175797293) has the molecular formula C3H8O4SSi and a molecular weight of 168.25 g/mol.

Molecular Properties

Compound NameCID 175797293
PubChem CID175797293
Molecular FormulaC3H8O4SSi
Molecular Weight168.25 g/mol
Exact Mass167.99
IUPAC Name—
SMILESO=S(=O)(O)CCCO.[Si]
InChIInChI=1S/C3H8O4S.Si/c4-2-1-3-8(5,6)7;/h4H,1-3H2,(H,5,6,7);
InChIKeyMPIODZUUCLTESI-UHFFFAOYSA-N
XLogP-1.12
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.25
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
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

18-hydroxyoctadecane-1-sulfonic acid
CID 22372907
16-hydroxyhexadecane-1-sulfonic acid
CID 19978840
bis(butane-1-sulfonic acid);propane-1,3-diol
CID 87128692
octane-1,8-disulfonic acid
CID 18172926
CID 88853027
CID 88853027
pentane-1,5-disulfonic acid;hydrate
CID 133062445
butane-1,4-disulfonic acid;ethene
CID 173210763
2-hydroxyethanesulfonic acid;silver
CID 87209091
lithium;hydride;2-hydroxyethanesulfonic acid
CID 173041120
(Z)-but-2-enedioic acid;4-hydroxybutane-1-sulfonic acid
CID 174906570
strontium;hexane-1,6-disulfonic acid;hydride
CID 173065455
sodium;hydride;octadecane-1,18-disulfonic acid
CID 174554044

Frequently Asked Questions

What is the IUPAC name of CID 175797293?
The IUPAC name of CID 175797293 (CID 175797293) is not available.
What is the SMILES notation for CID 175797293?
The canonical SMILES for CID 175797293 is O=S(=O)(O)CCCO.[Si].
What is the InChIKey of CID 175797293?
The InChIKey is MPIODZUUCLTESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O4S.Si/c4-2-1-3-8(5,6)7;/h4H,1-3H2,(H,5,6,7);.
What are the key properties of CID 175797293?
CID 175797293 has a molecular weight of 168.25 g/mol, XLogP of -1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175797293 is sourced from PubChem (CID 175797293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).