CID 158554461

C4H14BOSi — CID 158554461

IUPAC—
SMILESC.C[B][SiH](C)OC
InChIInChI=1S/C3H10BOSi.CH4/c1-4-6(3)5-2;/h6H,1-3H3;1H4
InChIKeyWSGWJVFTFUNUTC-UHFFFAOYSA-N
MW117.05 g/mol
LogP0.87
Rot. Bonds2

About CID 158554461

CID 158554461 (PubChem CID 158554461) has the molecular formula C4H14BOSi and a molecular weight of 117.05 g/mol.

Molecular Properties

Compound NameCID 158554461
PubChem CID158554461
Molecular FormulaC4H14BOSi
Molecular Weight117.05 g/mol
Exact Mass117.09
IUPAC Name—
SMILESC.C[B][SiH](C)OC
InChIInChI=1S/C3H10BOSi.CH4/c1-4-6(3)5-2;/h6H,1-3H3;1H4
InChIKeyWSGWJVFTFUNUTC-UHFFFAOYSA-N
XLogP0.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.05
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 158554461?
The IUPAC name of CID 158554461 (CID 158554461) is not available.
What is the SMILES notation for CID 158554461?
The canonical SMILES for CID 158554461 is C.C[B][SiH](C)OC.
What is the InChIKey of CID 158554461?
The InChIKey is WSGWJVFTFUNUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10BOSi.CH4/c1-4-6(3)5-2;/h6H,1-3H3;1H4.
What are the key properties of CID 158554461?
CID 158554461 has a molecular weight of 117.05 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158554461 is sourced from PubChem (CID 158554461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).