2-dimethylsilyl-3-ethoxybenzoyl azide

C11H15N3O2Si — CID 149163106

IUPAC2-dimethylsilyl-3-ethoxybenzoyl azide
SMILESCCOc1cccc(C(=O)N=[N+]=[N-])c1[SiH](C)C
InChIInChI=1S/C11H15N3O2Si/c1-4-16-9-7-5-6-8(10(9)17(2)3)11(15)13-14-12/h5-7,17H,4H2,1-3H3
InChIKeyFCGBANSMMMAVHM-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.23
Rot. Bonds4

About 2-dimethylsilyl-3-ethoxybenzoyl azide

2-dimethylsilyl-3-ethoxybenzoyl azide (PubChem CID 149163106) has the molecular formula C11H15N3O2Si and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-dimethylsilyl-3-ethoxybenzoyl azide.

Molecular Properties

Compound Name2-dimethylsilyl-3-ethoxybenzoyl azide
PubChem CID149163106
Molecular FormulaC11H15N3O2Si
Molecular Weight249.35 g/mol
Exact Mass249.09
IUPAC Name2-dimethylsilyl-3-ethoxybenzoyl azide
SMILESCCOc1cccc(C(=O)N=[N+]=[N-])c1[SiH](C)C
InChIInChI=1S/C11H15N3O2Si/c1-4-16-9-7-5-6-8(10(9)17(2)3)11(15)13-14-12/h5-7,17H,4H2,1-3H3
InChIKeyFCGBANSMMMAVHM-UHFFFAOYSA-N
XLogP2.23
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

3,4-diethoxybenzoyl azide
CID 43307138
ethyl 2-(2-carbonazidoylphenyl)benzoate
CID 24938767
ethyl 2-carbonazidoylpyridine-3-carboxylate
CID 12628625
3-ethoxy-2-hydroxybenzoic acid
CID 13026922
2,3-difluorobenzoyl azide
CID 62661740
methyl 2-chloro-3-ethoxybenzoate
CID 153384236
2-ethoxybenzoyl bromide
CID 19426336
2-ethoxybenzenecarboperoxoic acid
CID 22314606
2-ethoxybenzoic acid;zinc
CID 172723273
2-amino-3-ethoxybenzamide
CID 70121071
(2,6-diethoxyphenyl)-(2-phosphanylphenyl)methanone
CID 18514772
methyl 2-azido-3-(2-ethoxyphenyl)prop-2-enoate
CID 86587267

Frequently Asked Questions

What is the IUPAC name of 2-dimethylsilyl-3-ethoxybenzoyl azide?
The IUPAC name of 2-dimethylsilyl-3-ethoxybenzoyl azide (CID 149163106) is 2-dimethylsilyl-3-ethoxybenzoyl azide.
What is the SMILES notation for 2-dimethylsilyl-3-ethoxybenzoyl azide?
The canonical SMILES for 2-dimethylsilyl-3-ethoxybenzoyl azide is CCOc1cccc(C(=O)N=[N+]=[N-])c1[SiH](C)C.
What is the InChIKey of 2-dimethylsilyl-3-ethoxybenzoyl azide?
The InChIKey is FCGBANSMMMAVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2Si/c1-4-16-9-7-5-6-8(10(9)17(2)3)11(15)13-14-12/h5-7,17H,4H2,1-3H3.
What are the key properties of 2-dimethylsilyl-3-ethoxybenzoyl azide?
2-dimethylsilyl-3-ethoxybenzoyl azide has a molecular weight of 249.35 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dimethylsilyl-3-ethoxybenzoyl azide is sourced from PubChem (CID 149163106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).