CID 134975613

C12H19BNSi — CID 134975613

IUPAC—
SMILESCN1Cc2ccccc2[C@H]1[Si](C)(C)C.[B]
InChIInChI=1S/C12H19NSi.B/c1-13-9-10-7-5-6-8-11(10)12(13)14(2,3)4;/h5-8,12H,9H2,1-4H3;/t12-;/m1./s1
InChIKeyTUWBNCKSRZJQBV-UTONKHPSSA-N
MW216.19 g/mol
LogP2.67
Rot. Bonds1

About CID 134975613

CID 134975613 (PubChem CID 134975613) has the molecular formula C12H19BNSi and a molecular weight of 216.19 g/mol.

Molecular Properties

Compound NameCID 134975613
PubChem CID134975613
Molecular FormulaC12H19BNSi
Molecular Weight216.19 g/mol
Exact Mass216.14
IUPAC Name—
SMILESCN1Cc2ccccc2[C@H]1[Si](C)(C)C.[B]
InChIInChI=1S/C12H19NSi.B/c1-13-9-10-7-5-6-8-11(10)12(13)14(2,3)4;/h5-8,12H,9H2,1-4H3;/t12-;/m1./s1
InChIKeyTUWBNCKSRZJQBV-UTONKHPSSA-N
XLogP2.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 52.67
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 134975613?
The IUPAC name of CID 134975613 (CID 134975613) is not available.
What is the SMILES notation for CID 134975613?
The canonical SMILES for CID 134975613 is CN1Cc2ccccc2[C@H]1[Si](C)(C)C.[B].
What is the InChIKey of CID 134975613?
The InChIKey is TUWBNCKSRZJQBV-UTONKHPSSA-N. The full InChI is InChI=1S/C12H19NSi.B/c1-13-9-10-7-5-6-8-11(10)12(13)14(2,3)4;/h5-8,12H,9H2,1-4H3;/t12-;/m1./s1.
What are the key properties of CID 134975613?
CID 134975613 has a molecular weight of 216.19 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134975613 is sourced from PubChem (CID 134975613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).