CID 58412161

C2H8O9Si9 — CID 58412161

IUPAC—
SMILESCO[Si][Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[SiH](C)O
InChIInChI=1S/C2H8O9Si9/c1-11-12-14(4)16(6)18(8)20(10)19(9)17(7)15(5)13(2)3/h3,13H,1-2H3
InChIKeyNIINNDPKVSECLX-UHFFFAOYSA-N
MW428.85 g/mol
LogP-4.40
Rot. Bonds9

About CID 58412161

CID 58412161 (PubChem CID 58412161) has the molecular formula C2H8O9Si9 and a molecular weight of 428.85 g/mol.

Molecular Properties

Compound NameCID 58412161
PubChem CID58412161
Molecular FormulaC2H8O9Si9
Molecular Weight428.85 g/mol
Exact Mass427.81
IUPAC Name—
SMILESCO[Si][Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[SiH](C)O
InChIInChI=1S/C2H8O9Si9/c1-11-12-14(4)16(6)18(8)20(10)19(9)17(7)15(5)13(2)3/h3,13H,1-2H3
InChIKeyNIINNDPKVSECLX-UHFFFAOYSA-N
XLogP-4.40
TPSA148.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.85
LogP ≤ 5-4.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 58412161?
The IUPAC name of CID 58412161 (CID 58412161) is not available.
What is the SMILES notation for CID 58412161?
The canonical SMILES for CID 58412161 is CO[Si][Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[Si](=O)[SiH](C)O.
What is the InChIKey of CID 58412161?
The InChIKey is NIINNDPKVSECLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8O9Si9/c1-11-12-14(4)16(6)18(8)20(10)19(9)17(7)15(5)13(2)3/h3,13H,1-2H3.
What are the key properties of CID 58412161?
CID 58412161 has a molecular weight of 428.85 g/mol, XLogP of -4.40, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58412161 is sourced from PubChem (CID 58412161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).