1-tert-butyl-4-(1-diazoethyl)benzene

C12H16N2 — CID 102470296

IUPAC1-tert-butyl-4-(1-diazoethyl)benzene
SMILESCC(=[N+]=[N-])c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C12H16N2/c1-9(14-13)10-5-7-11(8-6-10)12(2,3)4/h5-8H,1-4H3
InChIKeyRNDGHJXZYOMFJS-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.02
Rot. Bonds1

About 1-tert-butyl-4-(1-diazoethyl)benzene

1-tert-butyl-4-(1-diazoethyl)benzene (PubChem CID 102470296) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-tert-butyl-4-(1-diazoethyl)benzene.

Molecular Properties

Compound Name1-tert-butyl-4-(1-diazoethyl)benzene
PubChem CID102470296
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name1-tert-butyl-4-(1-diazoethyl)benzene
SMILESCC(=[N+]=[N-])c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C12H16N2/c1-9(14-13)10-5-7-11(8-6-10)12(2,3)4/h5-8H,1-4H3
InChIKeyRNDGHJXZYOMFJS-UHFFFAOYSA-N
XLogP3.02
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-tert-butyl-4-[3-(4-tert-butylphenyl)buta-1,3-dien-2-yl]benzene
CID 102332015
(Z)-1,2-bis(4-tert-butylphenyl)ethene-1,2-dithiolate
CID 102081798
1-(4-tert-butylphenyl)ethanimine
CID 20718021
1-tert-butyl-4-[(E)-1-chloroprop-1-en-2-yl]benzene
CID 147586552
4-tert-butylbenzoic acid;copper
CID 67780260
CID 67550053
CID 67550053
copper 4-tert-butylbenzoic acid
CID 54604773
1-(4-tert-butylphenyl)-2-methylbutan-1-one
CID 13467807
3-(4-tert-butylphenyl)-2-methylbut-2-en-1-ol
CID 57275528
2-(4-tert-butylphenyl)-3-methylbut-2-en-1-ol
CID 178015326
[amino-(4-tert-butylphenyl)methylidene]azanium
CID 6346947
2,3-bis(4-tert-butylbenzoyl)-1,4-bis(4-tert-butylphenyl)but-2-ene-1,4-dione
CID 15471929

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(1-diazoethyl)benzene?
The IUPAC name of 1-tert-butyl-4-(1-diazoethyl)benzene (CID 102470296) is 1-tert-butyl-4-(1-diazoethyl)benzene.
What is the SMILES notation for 1-tert-butyl-4-(1-diazoethyl)benzene?
The canonical SMILES for 1-tert-butyl-4-(1-diazoethyl)benzene is CC(=[N+]=[N-])c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 1-tert-butyl-4-(1-diazoethyl)benzene?
The InChIKey is RNDGHJXZYOMFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-9(14-13)10-5-7-11(8-6-10)12(2,3)4/h5-8H,1-4H3.
What are the key properties of 1-tert-butyl-4-(1-diazoethyl)benzene?
1-tert-butyl-4-(1-diazoethyl)benzene has a molecular weight of 188.27 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(1-diazoethyl)benzene is sourced from PubChem (CID 102470296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).