CID 87098798

C9H20O3SSi — CID 87098798

IUPAC—
SMILESCCOC(OCC)O[Si]CCC(C)S
InChIInChI=1S/C9H20O3SSi/c1-4-10-9(11-5-2)12-14-7-6-8(3)13/h8-9,13H,4-7H2,1-3H3
InChIKeyGEROBWZYTKBQJF-UHFFFAOYSA-N
MW236.41 g/mol
LogP2.11
Rot. Bonds9

About CID 87098798

CID 87098798 (PubChem CID 87098798) has the molecular formula C9H20O3SSi and a molecular weight of 236.41 g/mol.

Molecular Properties

Compound NameCID 87098798
PubChem CID87098798
Molecular FormulaC9H20O3SSi
Molecular Weight236.41 g/mol
Exact Mass236.09
IUPAC Name—
SMILESCCOC(OCC)O[Si]CCC(C)S
InChIInChI=1S/C9H20O3SSi/c1-4-10-9(11-5-2)12-14-7-6-8(3)13/h8-9,13H,4-7H2,1-3H3
InChIKeyGEROBWZYTKBQJF-UHFFFAOYSA-N
XLogP2.11
TPSA27.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

Mercaptopropyldiethoxymethylsilane
CID 53425327
3-(Diethoxymethylsilyl)propane-1-thiol
CID 57348202
3-(Dibutoxymethoxysilyl)propane-1-thiol
CID 154161928
3-[Butoxy(ethoxymethoxy)silyl]propane-1-thiol
CID 170842544
3-(1,1-Dibutoxyethoxysilyl)propane-1-thiol
CID 170842545
1-[Tris(1-methoxyethoxy)silyl]propane-1-thiol
CID 19836222
3-[Tris(1-methoxyethoxy)silyl]propane-1-thiol
CID 20278155
4-[Tris(1-methoxyethoxy)silyl]butane-2-thiol
CID 22156050
CID 53663408
CID 53663408
2-(Diethoxymethylsilyl)ethanethiol
CID 71332101
4-(Diethoxymethylsilyl)butane-1-thiol
CID 71373584
4-[(Diethoxymethyl)silyl]butane-1-thiol
CID 78064050

Frequently Asked Questions

What is the IUPAC name of CID 87098798?
The IUPAC name of CID 87098798 (CID 87098798) is not available.
What is the SMILES notation for CID 87098798?
The canonical SMILES for CID 87098798 is CCOC(OCC)O[Si]CCC(C)S.
What is the InChIKey of CID 87098798?
The InChIKey is GEROBWZYTKBQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O3SSi/c1-4-10-9(11-5-2)12-14-7-6-8(3)13/h8-9,13H,4-7H2,1-3H3.
What are the key properties of CID 87098798?
CID 87098798 has a molecular weight of 236.41 g/mol, XLogP of 2.11, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87098798 is sourced from PubChem (CID 87098798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).