CID 20705480

C3H6B2OSi — CID 20705480

IUPAC—
SMILES[B][Si]([B])(C)C(C)=O
InChIInChI=1S/C3H6B2OSi/c1-3(6)7(2,4)5/h1-2H3
InChIKeyHOVNFYZKEOFKQA-UHFFFAOYSA-N
MW107.79 g/mol
LogP-0.48
Rot. Bonds1

About CID 20705480

CID 20705480 (PubChem CID 20705480) has the molecular formula C3H6B2OSi and a molecular weight of 107.79 g/mol.

Molecular Properties

Compound NameCID 20705480
PubChem CID20705480
Molecular FormulaC3H6B2OSi
Molecular Weight107.79 g/mol
Exact Mass108.04
IUPAC Name—
SMILES[B][Si]([B])(C)C(C)=O
InChIInChI=1S/C3H6B2OSi/c1-3(6)7(2,4)5/h1-2H3
InChIKeyHOVNFYZKEOFKQA-UHFFFAOYSA-N
XLogP-0.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.79
LogP ≤ 5-0.48
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

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trimethylsilylformic acid
CID 19885609
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CID 174299446
argon;propan-2-one
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CID 5359261
CID 5359261
Silane-acetone
CID 18680436
nickel;tris(propan-2-one)
CID 175333114
propan-2-one;zirconium
CID 87087539
acetic acid
CID 158444727
silver bis(propan-2-one)
CID 71340648
1,1-dibromo-3-trimethylsilylpropan-2-one
CID 12501089

Frequently Asked Questions

What is the IUPAC name of CID 20705480?
The IUPAC name of CID 20705480 (CID 20705480) is not available.
What is the SMILES notation for CID 20705480?
The canonical SMILES for CID 20705480 is [B][Si]([B])(C)C(C)=O.
What is the InChIKey of CID 20705480?
The InChIKey is HOVNFYZKEOFKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6B2OSi/c1-3(6)7(2,4)5/h1-2H3.
What are the key properties of CID 20705480?
CID 20705480 has a molecular weight of 107.79 g/mol, XLogP of -0.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 20705480 is sourced from PubChem (CID 20705480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).