CID 166453533

C12H30BO2Si2 — CID 166453533

IUPAC—
SMILESCC[Si](CC)(CC)O[B]O[Si](CC)(CC)CC
InChIInChI=1S/C12H30BO2Si2/c1-7-16(8-2,9-3)14-13-15-17(10-4,11-5)12-6/h7-12H2,1-6H3
InChIKeyHKXWHHDRJVKATR-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.56
Rot. Bonds10

About CID 166453533

CID 166453533 (PubChem CID 166453533) has the molecular formula C12H30BO2Si2 and a molecular weight of 273.35 g/mol.

Molecular Properties

Compound NameCID 166453533
PubChem CID166453533
Molecular FormulaC12H30BO2Si2
Molecular Weight273.35 g/mol
Exact Mass273.19
IUPAC Name—
SMILESCC[Si](CC)(CC)O[B]O[Si](CC)(CC)CC
InChIInChI=1S/C12H30BO2Si2/c1-7-16(8-2,9-3)14-13-15-17(10-4,11-5)12-6/h7-12H2,1-6H3
InChIKeyHKXWHHDRJVKATR-UHFFFAOYSA-N
XLogP4.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 166453533?
The IUPAC name of CID 166453533 (CID 166453533) is not available.
What is the SMILES notation for CID 166453533?
The canonical SMILES for CID 166453533 is CC[Si](CC)(CC)O[B]O[Si](CC)(CC)CC.
What is the InChIKey of CID 166453533?
The InChIKey is HKXWHHDRJVKATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30BO2Si2/c1-7-16(8-2,9-3)14-13-15-17(10-4,11-5)12-6/h7-12H2,1-6H3.
What are the key properties of CID 166453533?
CID 166453533 has a molecular weight of 273.35 g/mol, XLogP of 4.56, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 166453533 is sourced from PubChem (CID 166453533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).