CID 174790199

C8H16O2SSi — CID 174790199

IUPAC—
SMILESCCC([Si]OC(C)(C)C)C(=O)S
InChIInChI=1S/C8H16O2SSi/c1-5-6(7(9)11)12-10-8(2,3)4/h6H,5H2,1-4H3,(H,9,11)
InChIKeyXEVPTNUVOVDSGR-UHFFFAOYSA-N
MW204.37 g/mol
LogP2.08
Rot. Bonds4

About CID 174790199

CID 174790199 (PubChem CID 174790199) has the molecular formula C8H16O2SSi and a molecular weight of 204.37 g/mol.

Molecular Properties

Compound NameCID 174790199
PubChem CID174790199
Molecular FormulaC8H16O2SSi
Molecular Weight204.37 g/mol
Exact Mass204.06
IUPAC Name—
SMILESCCC([Si]OC(C)(C)C)C(=O)S
InChIInChI=1S/C8H16O2SSi/c1-5-6(7(9)11)12-10-8(2,3)4/h6H,5H2,1-4H3,(H,9,11)
InChIKeyXEVPTNUVOVDSGR-UHFFFAOYSA-N
XLogP2.08
TPSA26.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

tert-butylperoxy 2-ethylbutaneperoxoate
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2-ethylpentanethioic S-acid
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(2R)-2-hydroxybutanethioic S-acid
CID 87799319
2-ethyldecanethioic S-acid
CID 20634435
tert-butyl (2S)-2-(aminomethyl)butanoate
CID 129371399
tert-butyl 2-(hydroxymethyl)butanoate
CID 87790819
tert-butyl 3-ethyl-2-iminopentanoate
CID 174619481
CID 18352332
CID 18352332
4-ethyl-2,2-dimethylhexan-3-one
CID 15584308
3-ethoxy-5-ethyl-2,2-dimethylheptan-4-one
CID 116709844
tert-butyl N-methyl-N-pentan-3-ylcarbamate
CID 63787817
tert-butyl (2R)-2-aminobutanoate
CID 13283520

Frequently Asked Questions

What is the IUPAC name of CID 174790199?
The IUPAC name of CID 174790199 (CID 174790199) is not available.
What is the SMILES notation for CID 174790199?
The canonical SMILES for CID 174790199 is CCC([Si]OC(C)(C)C)C(=O)S.
What is the InChIKey of CID 174790199?
The InChIKey is XEVPTNUVOVDSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2SSi/c1-5-6(7(9)11)12-10-8(2,3)4/h6H,5H2,1-4H3,(H,9,11).
What are the key properties of CID 174790199?
CID 174790199 has a molecular weight of 204.37 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174790199 is sourced from PubChem (CID 174790199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).