CID 175369116

C9H24O9S3Si — CID 175369116

IUPAC—
SMILESCCC[Si](OCC)(OCC)OCC.O=S(=O)(O)SS(=O)(=O)O
InChIInChI=1S/C9H22O3Si.H2O6S3/c1-5-9-13(10-6-2,11-7-3)12-8-4;1-8(2,3)7-9(4,5)6/h5-9H2,1-4H3;(H,1,2,3)(H,4,5,6)
InChIKeyVRBSBBDHXNIHRD-UHFFFAOYSA-N
MW400.57 g/mol
LogP1.77
Rot. Bonds10

About CID 175369116

CID 175369116 (PubChem CID 175369116) has the molecular formula C9H24O9S3Si and a molecular weight of 400.57 g/mol.

Molecular Properties

Compound NameCID 175369116
PubChem CID175369116
Molecular FormulaC9H24O9S3Si
Molecular Weight400.57 g/mol
Exact Mass400.04
IUPAC Name—
SMILESCCC[Si](OCC)(OCC)OCC.O=S(=O)(O)SS(=O)(=O)O
InChIInChI=1S/C9H22O3Si.H2O6S3/c1-5-9-13(10-6-2,11-7-3)12-8-4;1-8(2,3)7-9(4,5)6/h5-9H2,1-4H3;(H,1,2,3)(H,4,5,6)
InChIKeyVRBSBBDHXNIHRD-UHFFFAOYSA-N
XLogP1.77
TPSA136.43 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 175369116?
The IUPAC name of CID 175369116 (CID 175369116) is not available.
What is the SMILES notation for CID 175369116?
The canonical SMILES for CID 175369116 is CCC[Si](OCC)(OCC)OCC.O=S(=O)(O)SS(=O)(=O)O.
What is the InChIKey of CID 175369116?
The InChIKey is VRBSBBDHXNIHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22O3Si.H2O6S3/c1-5-9-13(10-6-2,11-7-3)12-8-4;1-8(2,3)7-9(4,5)6/h5-9H2,1-4H3;(H,1,2,3)(H,4,5,6).
What are the key properties of CID 175369116?
CID 175369116 has a molecular weight of 400.57 g/mol, XLogP of 1.77, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175369116 is sourced from PubChem (CID 175369116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).