CID 156812408

C20H33BNO2Si — CID 156812408

IUPAC—
SMILESCC[Si](C#Cc1cc(N)cc([B]OC(C)(C)C(C)(C)O)c1)(CC)CC
InChIInChI=1S/C20H33BNO2Si/c1-8-25(9-2,10-3)12-11-16-13-17(15-18(22)14-16)21-24-20(6,7)19(4,5)23/h13-15,23H,8-10,22H2,1-7H3
InChIKeyIVGXLJMDDUDHKJ-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.48
Rot. Bonds7

About CID 156812408

CID 156812408 (PubChem CID 156812408) has the molecular formula C20H33BNO2Si and a molecular weight of 358.39 g/mol.

Molecular Properties

Compound NameCID 156812408
PubChem CID156812408
Molecular FormulaC20H33BNO2Si
Molecular Weight358.39 g/mol
Exact Mass358.24
IUPAC Name—
SMILESCC[Si](C#Cc1cc(N)cc([B]OC(C)(C)C(C)(C)O)c1)(CC)CC
InChIInChI=1S/C20H33BNO2Si/c1-8-25(9-2,10-3)12-11-16-13-17(15-18(22)14-16)21-24-20(6,7)19(4,5)23/h13-15,23H,8-10,22H2,1-7H3
InChIKeyIVGXLJMDDUDHKJ-UHFFFAOYSA-N
XLogP3.48
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 156812408?
The IUPAC name of CID 156812408 (CID 156812408) is not available.
What is the SMILES notation for CID 156812408?
The canonical SMILES for CID 156812408 is CC[Si](C#Cc1cc(N)cc([B]OC(C)(C)C(C)(C)O)c1)(CC)CC.
What is the InChIKey of CID 156812408?
The InChIKey is IVGXLJMDDUDHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33BNO2Si/c1-8-25(9-2,10-3)12-11-16-13-17(15-18(22)14-16)21-24-20(6,7)19(4,5)23/h13-15,23H,8-10,22H2,1-7H3.
What are the key properties of CID 156812408?
CID 156812408 has a molecular weight of 358.39 g/mol, XLogP of 3.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156812408 is sourced from PubChem (CID 156812408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).