CID 164681431

C11H21BSi — CID 164681431

IUPAC—
SMILES[B]C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C11H21BSi/c1-9(2)13(8-7-12,10(3)4)11(5)6/h9-11H,1-6H3
InChIKeyLPQQWAFJMVBTDR-UHFFFAOYSA-N
MW192.19 g/mol
LogP3.33
Rot. Bonds3

About CID 164681431

CID 164681431 (PubChem CID 164681431) has the molecular formula C11H21BSi and a molecular weight of 192.19 g/mol.

Molecular Properties

Compound NameCID 164681431
PubChem CID164681431
Molecular FormulaC11H21BSi
Molecular Weight192.19 g/mol
Exact Mass192.15
IUPAC Name—
SMILES[B]C#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C11H21BSi/c1-9(2)13(8-7-12,10(3)4)11(5)6/h9-11H,1-6H3
InChIKeyLPQQWAFJMVBTDR-UHFFFAOYSA-N
XLogP3.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 164681431?
The IUPAC name of CID 164681431 (CID 164681431) is not available.
What is the SMILES notation for CID 164681431?
The canonical SMILES for CID 164681431 is [B]C#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of CID 164681431?
The InChIKey is LPQQWAFJMVBTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BSi/c1-9(2)13(8-7-12,10(3)4)11(5)6/h9-11H,1-6H3.
What are the key properties of CID 164681431?
CID 164681431 has a molecular weight of 192.19 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164681431 is sourced from PubChem (CID 164681431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).