methyl 8,8-dimethyl-4,15-diaza-8-silatetracyclo[7.6.0.02,7.011,15]pentadeca-2(7),3,5-triene-11-carboxylate

C16H22N2O2Si — CID 135014908

IUPACmethyl 8,8-dimethyl-4,15-diaza-8-silatetracyclo[7.6.0.02,7.011,15]pentadeca-2(7),3,5-triene-11-carboxylate
SMILESCOC(=O)C12CCCN1C1c3cnccc3[Si](C)(C)C1C2
InChIInChI=1S/C16H22N2O2Si/c1-20-15(19)16-6-4-8-18(16)14-11-10-17-7-5-12(11)21(2,3)13(14)9-16/h5,7,10,13-14H,4,6,8-9H2,1-3H3
InChIKeyYDYASDZHOXZOKW-UHFFFAOYSA-N
MW302.45 g/mol
LogP1.83
Rot. Bonds1

About methyl 8,8-dimethyl-4,15-diaza-8-silatetracyclo[7.6.0.02,7.011,15]pentadeca-2(7),3,5-triene-11-carboxylate

methyl 8,8-dimethyl-4,15-diaza-8-silatetracyclo[7.6.0.02,7.011,15]pentadeca-2(7),3,5-triene-11-carboxylate (PubChem CID 135014908) has the molecular formula C16H22N2O2Si and a molecular weight of 302.45 g/mol. Its IUPAC name is methyl 8,8-dimethyl-4,15-diaza-8-silatetracyclo[7.6.0.02,7.011,15]pentadeca-2(7),3,5-triene-11-carboxylate.

Molecular Properties

Compound Namemethyl 8,8-dimethyl-4,15-diaza-8-silatetracyclo[7.6.0.02,7.011,15]pentadeca-2(7),3,5-triene-11-carboxylate
PubChem CID135014908
Molecular FormulaC16H22N2O2Si
Molecular Weight302.45 g/mol
Exact Mass302.15
IUPAC Namemethyl 8,8-dimethyl-4,15-diaza-8-silatetracyclo[7.6.0.02,7.011,15]pentadeca-2(7),3,5-triene-11-carboxylate
SMILESCOC(=O)C12CCCN1C1c3cnccc3[Si](C)(C)C1C2
InChIInChI=1S/C16H22N2O2Si/c1-20-15(19)16-6-4-8-18(16)14-11-10-17-7-5-12(11)21(2,3)13(14)9-16/h5,7,10,13-14H,4,6,8-9H2,1-3H3
InChIKeyYDYASDZHOXZOKW-UHFFFAOYSA-N
XLogP1.83
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 methyl 8,8-dimethyl-4,15-diaza-8-silatetracyclo[7.6.0.02,7.011,15]pentadeca-2(7),3,5-triene-11-carboxylate?
The IUPAC name of methyl 8,8-dimethyl-4,15-diaza-8-silatetracyclo[7.6.0.02,7.011,15]pentadeca-2(7),3,5-triene-11-carboxylate (CID 135014908) is methyl 8,8-dimethyl-4,15-diaza-8-silatetracyclo[7.6.0.02,7.011,15]pentadeca-2(7),3,5-triene-11-carboxylate.
What is the SMILES notation for methyl 8,8-dimethyl-4,15-diaza-8-silatetracyclo[7.6.0.02,7.011,15]pentadeca-2(7),3,5-triene-11-carboxylate?
The canonical SMILES for methyl 8,8-dimethyl-4,15-diaza-8-silatetracyclo[7.6.0.02,7.011,15]pentadeca-2(7),3,5-triene-11-carboxylate is COC(=O)C12CCCN1C1c3cnccc3[Si](C)(C)C1C2.
What is the InChIKey of methyl 8,8-dimethyl-4,15-diaza-8-silatetracyclo[7.6.0.02,7.011,15]pentadeca-2(7),3,5-triene-11-carboxylate?
The InChIKey is YDYASDZHOXZOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2Si/c1-20-15(19)16-6-4-8-18(16)14-11-10-17-7-5-12(11)21(2,3)13(14)9-16/h5,7,10,13-14H,4,6,8-9H2,1-3H3.
What are the key properties of methyl 8,8-dimethyl-4,15-diaza-8-silatetracyclo[7.6.0.02,7.011,15]pentadeca-2(7),3,5-triene-11-carboxylate?
methyl 8,8-dimethyl-4,15-diaza-8-silatetracyclo[7.6.0.02,7.011,15]pentadeca-2(7),3,5-triene-11-carboxylate has a molecular weight of 302.45 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8,8-dimethyl-4,15-diaza-8-silatetracyclo[7.6.0.02,7.011,15]pentadeca-2(7),3,5-triene-11-carboxylate is sourced from PubChem (CID 135014908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).