CID 158296253

C20H27BO2Si — CID 158296253

IUPAC—
SMILESCC(C)(O)C(C)(C)O.[B]c1cccc2c1[Si](C)(C)c1ccccc1-2
InChIInChI=1S/C14H13BSi.C6H14O2/c1-16(2)13-9-4-3-6-10(13)11-7-5-8-12(15)14(11)16;1-5(2,7)6(3,4)8/h3-9H,1-2H3;7-8H,1-4H3
InChIKeyIBPAGIJAZJXUAD-UHFFFAOYSA-N
MW338.33 g/mol
LogP1.81
Rot. Bonds1

About CID 158296253

CID 158296253 (PubChem CID 158296253) has the molecular formula C20H27BO2Si and a molecular weight of 338.33 g/mol.

Molecular Properties

Compound NameCID 158296253
PubChem CID158296253
Molecular FormulaC20H27BO2Si
Molecular Weight338.33 g/mol
Exact Mass338.19
IUPAC Name—
SMILESCC(C)(O)C(C)(C)O.[B]c1cccc2c1[Si](C)(C)c1ccccc1-2
InChIInChI=1S/C14H13BSi.C6H14O2/c1-16(2)13-9-4-3-6-10(13)11-7-5-8-12(15)14(11)16;1-5(2,7)6(3,4)8/h3-9H,1-2H3;7-8H,1-4H3
InChIKeyIBPAGIJAZJXUAD-UHFFFAOYSA-N
XLogP1.81
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 51.81
H-Bond Donors ≤ 52
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 158296253?
The IUPAC name of CID 158296253 (CID 158296253) is not available.
What is the SMILES notation for CID 158296253?
The canonical SMILES for CID 158296253 is CC(C)(O)C(C)(C)O.[B]c1cccc2c1[Si](C)(C)c1ccccc1-2.
What is the InChIKey of CID 158296253?
The InChIKey is IBPAGIJAZJXUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BSi.C6H14O2/c1-16(2)13-9-4-3-6-10(13)11-7-5-8-12(15)14(11)16;1-5(2,7)6(3,4)8/h3-9H,1-2H3;7-8H,1-4H3.
What are the key properties of CID 158296253?
CID 158296253 has a molecular weight of 338.33 g/mol, XLogP of 1.81, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158296253 is sourced from PubChem (CID 158296253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).