2,2-dimethoxy-1,3-bis(2,4,6-trimethylphenyl)-1,3,2-diazasilole

C22H30N2O2Si — CID 58249843

IUPAC2,2-dimethoxy-1,3-bis(2,4,6-trimethylphenyl)-1,3,2-diazasilole
SMILESCO[Si]1(OC)N(c2c(C)cc(C)cc2C)C=CN1c1c(C)cc(C)cc1C
InChIInChI=1S/C22H30N2O2Si/c1-15-11-17(3)21(18(4)12-15)23-9-10-24(27(23,25-7)26-8)22-19(5)13-16(2)14-20(22)6/h9-14H,1-8H3
InChIKeyHDHRZKCULJTXBZ-UHFFFAOYSA-N
MW382.58 g/mol
LogP5.06
Rot. Bonds4

About 2,2-dimethoxy-1,3-bis(2,4,6-trimethylphenyl)-1,3,2-diazasilole

2,2-dimethoxy-1,3-bis(2,4,6-trimethylphenyl)-1,3,2-diazasilole (PubChem CID 58249843) has the molecular formula C22H30N2O2Si and a molecular weight of 382.58 g/mol. Its IUPAC name is 2,2-dimethoxy-1,3-bis(2,4,6-trimethylphenyl)-1,3,2-diazasilole.

Molecular Properties

Compound Name2,2-dimethoxy-1,3-bis(2,4,6-trimethylphenyl)-1,3,2-diazasilole
PubChem CID58249843
Molecular FormulaC22H30N2O2Si
Molecular Weight382.58 g/mol
Exact Mass382.21
IUPAC Name2,2-dimethoxy-1,3-bis(2,4,6-trimethylphenyl)-1,3,2-diazasilole
SMILESCO[Si]1(OC)N(c2c(C)cc(C)cc2C)C=CN1c1c(C)cc(C)cc1C
InChIInChI=1S/C22H30N2O2Si/c1-15-11-17(3)21(18(4)12-15)23-9-10-24(27(23,25-7)26-8)22-19(5)13-16(2)14-20(22)6/h9-14H,1-8H3
InChIKeyHDHRZKCULJTXBZ-UHFFFAOYSA-N
XLogP5.06
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.58
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-1,3-bis(2,4,6-trimethylphenyl)imidazole
CID 134386547
CID 139244845
CID 139244845
1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole-2-thiol
CID 71730840
CID 71475020
CID 71475020
CID 46867730
CID 46867730
3-[3-(2,4,6-trimethylphenyl)-2H-imidazol-1-yl]propan-1-ol
CID 5255189
1-(2,4,6-trimethylphenyl)-2,5-dihydropyrrole
CID 171371589
ethane;2-methoxy-1,3,5-trimethylbenzene
CID 142174927
ethyl 2-amino-5-methyl-1-(2,4,6-trimethylphenyl)-2,3-dihydropyrrole-3-carboxylate
CID 142097571
1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;trichloroindigane
CID 5256746
[1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene]methanedithiol
CID 139169547
1,3-bis(2,4,6-trimethylphenyl)-2H-imidazol-2-ide;carbanide;chloronickel
CID 138962644

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxy-1,3-bis(2,4,6-trimethylphenyl)-1,3,2-diazasilole?
The IUPAC name of 2,2-dimethoxy-1,3-bis(2,4,6-trimethylphenyl)-1,3,2-diazasilole (CID 58249843) is 2,2-dimethoxy-1,3-bis(2,4,6-trimethylphenyl)-1,3,2-diazasilole.
What is the SMILES notation for 2,2-dimethoxy-1,3-bis(2,4,6-trimethylphenyl)-1,3,2-diazasilole?
The canonical SMILES for 2,2-dimethoxy-1,3-bis(2,4,6-trimethylphenyl)-1,3,2-diazasilole is CO[Si]1(OC)N(c2c(C)cc(C)cc2C)C=CN1c1c(C)cc(C)cc1C.
What is the InChIKey of 2,2-dimethoxy-1,3-bis(2,4,6-trimethylphenyl)-1,3,2-diazasilole?
The InChIKey is HDHRZKCULJTXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2Si/c1-15-11-17(3)21(18(4)12-15)23-9-10-24(27(23,25-7)26-8)22-19(5)13-16(2)14-20(22)6/h9-14H,1-8H3.
What are the key properties of 2,2-dimethoxy-1,3-bis(2,4,6-trimethylphenyl)-1,3,2-diazasilole?
2,2-dimethoxy-1,3-bis(2,4,6-trimethylphenyl)-1,3,2-diazasilole has a molecular weight of 382.58 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-1,3-bis(2,4,6-trimethylphenyl)-1,3,2-diazasilole is sourced from PubChem (CID 58249843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).