CID 157467328

C16H23BNSi — CID 157467328

IUPAC—
SMILESCC(C)(C)[Si](C)(C)N1[B]C(c2ccccc2)=CC=C1
InChIInChI=1S/C16H23BNSi/c1-16(2,3)19(4,5)18-13-9-12-15(17-18)14-10-7-6-8-11-14/h6-13H,1-5H3
InChIKeyLSMMNPYHAGJWPS-UHFFFAOYSA-N
MW268.26 g/mol
LogP4.48
Rot. Bonds2

About CID 157467328

CID 157467328 (PubChem CID 157467328) has the molecular formula C16H23BNSi and a molecular weight of 268.26 g/mol.

Molecular Properties

Compound NameCID 157467328
PubChem CID157467328
Molecular FormulaC16H23BNSi
Molecular Weight268.26 g/mol
Exact Mass268.17
IUPAC Name—
SMILESCC(C)(C)[Si](C)(C)N1[B]C(c2ccccc2)=CC=C1
InChIInChI=1S/C16H23BNSi/c1-16(2,3)19(4,5)18-13-9-12-15(17-18)14-10-7-6-8-11-14/h6-13H,1-5H3
InChIKeyLSMMNPYHAGJWPS-UHFFFAOYSA-N
XLogP4.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 157467328?
The IUPAC name of CID 157467328 (CID 157467328) is not available.
What is the SMILES notation for CID 157467328?
The canonical SMILES for CID 157467328 is CC(C)(C)[Si](C)(C)N1[B]C(c2ccccc2)=CC=C1.
What is the InChIKey of CID 157467328?
The InChIKey is LSMMNPYHAGJWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BNSi/c1-16(2,3)19(4,5)18-13-9-12-15(17-18)14-10-7-6-8-11-14/h6-13H,1-5H3.
What are the key properties of CID 157467328?
CID 157467328 has a molecular weight of 268.26 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157467328 is sourced from PubChem (CID 157467328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).