CID 161198206

C19H29BNSi — CID 161198206

IUPAC—
SMILESCc1cc(C)c(C2=CC=CN([Si](C)(C)C(C)(C)C)[B]2)c(C)c1
InChIInChI=1S/C19H29BNSi/c1-14-12-15(2)18(16(3)13-14)17-10-9-11-21(20-17)22(7,8)19(4,5)6/h9-13H,1-8H3
InChIKeyCTMXKYTWJGKIGB-UHFFFAOYSA-N
MW310.35 g/mol
LogP5.41
Rot. Bonds2

About CID 161198206

CID 161198206 (PubChem CID 161198206) has the molecular formula C19H29BNSi and a molecular weight of 310.35 g/mol.

Molecular Properties

Compound NameCID 161198206
PubChem CID161198206
Molecular FormulaC19H29BNSi
Molecular Weight310.35 g/mol
Exact Mass310.22
IUPAC Name—
SMILESCc1cc(C)c(C2=CC=CN([Si](C)(C)C(C)(C)C)[B]2)c(C)c1
InChIInChI=1S/C19H29BNSi/c1-14-12-15(2)18(16(3)13-14)17-10-9-11-21(20-17)22(7,8)19(4,5)6/h9-13H,1-8H3
InChIKeyCTMXKYTWJGKIGB-UHFFFAOYSA-N
XLogP5.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.35
LogP ≤ 55.41
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 161198206?
The IUPAC name of CID 161198206 (CID 161198206) is not available.
What is the SMILES notation for CID 161198206?
The canonical SMILES for CID 161198206 is Cc1cc(C)c(C2=CC=CN([Si](C)(C)C(C)(C)C)[B]2)c(C)c1.
What is the InChIKey of CID 161198206?
The InChIKey is CTMXKYTWJGKIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29BNSi/c1-14-12-15(2)18(16(3)13-14)17-10-9-11-21(20-17)22(7,8)19(4,5)6/h9-13H,1-8H3.
What are the key properties of CID 161198206?
CID 161198206 has a molecular weight of 310.35 g/mol, XLogP of 5.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 161198206 is sourced from PubChem (CID 161198206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).