2-benzyl-1,3-ditert-butyl-2-chloro-1,3,2-diazasilole

C17H27ClN2Si — CID 135053508

IUPAC2-benzyl-1,3-ditert-butyl-2-chloro-1,3,2-diazasilole
SMILESCC(C)(C)N1C=CN(C(C)(C)C)[Si]1(Cl)Cc1ccccc1
InChIInChI=1S/C17H27ClN2Si/c1-16(2,3)19-12-13-20(17(4,5)6)21(19,18)14-15-10-8-7-9-11-15/h7-13H,14H2,1-6H3
InChIKeyXQHGZCQYONLRFN-UHFFFAOYSA-N
MW322.96 g/mol
LogP4.63
Rot. Bonds2

About 2-benzyl-1,3-ditert-butyl-2-chloro-1,3,2-diazasilole

2-benzyl-1,3-ditert-butyl-2-chloro-1,3,2-diazasilole (PubChem CID 135053508) has the molecular formula C17H27ClN2Si and a molecular weight of 322.96 g/mol. Its IUPAC name is 2-benzyl-1,3-ditert-butyl-2-chloro-1,3,2-diazasilole.

Molecular Properties

Compound Name2-benzyl-1,3-ditert-butyl-2-chloro-1,3,2-diazasilole
PubChem CID135053508
Molecular FormulaC17H27ClN2Si
Molecular Weight322.96 g/mol
Exact Mass322.16
IUPAC Name2-benzyl-1,3-ditert-butyl-2-chloro-1,3,2-diazasilole
SMILESCC(C)(C)N1C=CN(C(C)(C)C)[Si]1(Cl)Cc1ccccc1
InChIInChI=1S/C17H27ClN2Si/c1-16(2,3)19-12-13-20(17(4,5)6)21(19,18)14-15-10-8-7-9-11-15/h7-13H,14H2,1-6H3
InChIKeyXQHGZCQYONLRFN-UHFFFAOYSA-N
XLogP4.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.96
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Bromo-1,3-ditert-butyl-2-[4-(trifluoromethyl)phenyl]-1,3,2-diazasilole
CID 135008833
2-Bromo-1,3-ditert-butyl-2-(4-tert-butylphenyl)-1,3,2-diazasilole
CID 135053494
bis(N,N-diethylamino)(phenethyl)methylsilane
CID 67277866
2-Benzyl-1,3-ditert-butyl-2-(1,3-ditert-butyl-2-chloro-1,3,2-diazasilol-2-yl)-1,3,2-diazasilole
CID 11421020
(1E,3E)-4-phenyl-N,N-bis(trimethylsilyl)buta-1,3-dien-1-amine
CID 13332929
2-Bromo-1,3-ditert-butyl-2-phenyl-1,3,2-diazasilole
CID 101177867
1,3-Ditert-butyl-2-iodo-2-phenyl-1,3,2-diazasilole
CID 101467931
(6S,9R)-1,4-ditert-butyl-6,9-diphenyl-1,4-diaza-5-silaspiro[4.4]nona-2,7-diene
CID 134901450
2-Benzyl-1,3-ditert-butyl-2-chloro-1,3,2-diazasilolidine
CID 135007642
1,4-Ditert-butyl-6,9-diphenyl-1,4-diaza-5-silaspiro[4.4]nona-2,7-diene
CID 135008525
N-[bis(dimethylamino)-[(E)-2-phenylethenyl]silyl]-N-methylmethanamine
CID 20200924
CID 20491162
CID 20491162

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1,3-ditert-butyl-2-chloro-1,3,2-diazasilole?
The IUPAC name of 2-benzyl-1,3-ditert-butyl-2-chloro-1,3,2-diazasilole (CID 135053508) is 2-benzyl-1,3-ditert-butyl-2-chloro-1,3,2-diazasilole.
What is the SMILES notation for 2-benzyl-1,3-ditert-butyl-2-chloro-1,3,2-diazasilole?
The canonical SMILES for 2-benzyl-1,3-ditert-butyl-2-chloro-1,3,2-diazasilole is CC(C)(C)N1C=CN(C(C)(C)C)[Si]1(Cl)Cc1ccccc1.
What is the InChIKey of 2-benzyl-1,3-ditert-butyl-2-chloro-1,3,2-diazasilole?
The InChIKey is XQHGZCQYONLRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2Si/c1-16(2,3)19-12-13-20(17(4,5)6)21(19,18)14-15-10-8-7-9-11-15/h7-13H,14H2,1-6H3.
What are the key properties of 2-benzyl-1,3-ditert-butyl-2-chloro-1,3,2-diazasilole?
2-benzyl-1,3-ditert-butyl-2-chloro-1,3,2-diazasilole has a molecular weight of 322.96 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1,3-ditert-butyl-2-chloro-1,3,2-diazasilole is sourced from PubChem (CID 135053508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).