CID 58609419

C3H9BOSi — CID 58609419

IUPAC—
SMILESC[B][Si](C)OC
InChIInChI=1S/C3H9BOSi/c1-4-6(3)5-2/h1-3H3
InChIKeyOTXBUXFVBCCBMX-UHFFFAOYSA-N
MW100.00 g/mol
LogP0.50
Rot. Bonds2

About CID 58609419

CID 58609419 (PubChem CID 58609419) has the molecular formula C3H9BOSi and a molecular weight of 100.00 g/mol.

Molecular Properties

Compound NameCID 58609419
PubChem CID58609419
Molecular FormulaC3H9BOSi
Molecular Weight100.00 g/mol
Exact Mass100.05
IUPAC Name—
SMILESC[B][Si](C)OC
InChIInChI=1S/C3H9BOSi/c1-4-6(3)5-2/h1-3H3
InChIKeyOTXBUXFVBCCBMX-UHFFFAOYSA-N
XLogP0.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.00
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 123428207
CID 123428207
CID 158554461
CID 158554461

Frequently Asked Questions

What is the IUPAC name of CID 58609419?
The IUPAC name of CID 58609419 (CID 58609419) is not available.
What is the SMILES notation for CID 58609419?
The canonical SMILES for CID 58609419 is C[B][Si](C)OC.
What is the InChIKey of CID 58609419?
The InChIKey is OTXBUXFVBCCBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9BOSi/c1-4-6(3)5-2/h1-3H3.
What are the key properties of CID 58609419?
CID 58609419 has a molecular weight of 100.00 g/mol, XLogP of 0.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58609419 is sourced from PubChem (CID 58609419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).