tert-butyl(2-chlorohex-5-en-2-yl)diazene

C10H19ClN2 — CID 21454768

IUPACtert-butyl(2-chlorohex-5-en-2-yl)diazene
SMILESC=CCCC(C)(Cl)/N=N/C(C)(C)C
InChIInChI=1S/C10H19ClN2/c1-6-7-8-10(5,11)13-12-9(2,3)4/h6H,1,7-8H2,2-5H3/b13-12+
InChIKeyDDAIMTKKMUFDEA-OUKQBFOZSA-N
MW202.73 g/mol
LogP4.16
Rot. Bonds4

About tert-butyl(2-chlorohex-5-en-2-yl)diazene

tert-butyl(2-chlorohex-5-en-2-yl)diazene (PubChem CID 21454768) has the molecular formula C10H19ClN2 and a molecular weight of 202.73 g/mol. Its IUPAC name is tert-butyl(2-chlorohex-5-en-2-yl)diazene.

Molecular Properties

Compound Nametert-butyl(2-chlorohex-5-en-2-yl)diazene
PubChem CID21454768
Molecular FormulaC10H19ClN2
Molecular Weight202.73 g/mol
Exact Mass202.12
IUPAC Nametert-butyl(2-chlorohex-5-en-2-yl)diazene
SMILESC=CCCC(C)(Cl)/N=N/C(C)(C)C
InChIInChI=1S/C10H19ClN2/c1-6-7-8-10(5,11)13-12-9(2,3)4/h6H,1,7-8H2,2-5H3/b13-12+
InChIKeyDDAIMTKKMUFDEA-OUKQBFOZSA-N
XLogP4.16
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.73
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl(2-chlorohex-5-en-2-yl)diazene?
The IUPAC name of tert-butyl(2-chlorohex-5-en-2-yl)diazene (CID 21454768) is tert-butyl(2-chlorohex-5-en-2-yl)diazene.
What is the SMILES notation for tert-butyl(2-chlorohex-5-en-2-yl)diazene?
The canonical SMILES for tert-butyl(2-chlorohex-5-en-2-yl)diazene is C=CCCC(C)(Cl)/N=N/C(C)(C)C.
What is the InChIKey of tert-butyl(2-chlorohex-5-en-2-yl)diazene?
The InChIKey is DDAIMTKKMUFDEA-OUKQBFOZSA-N. The full InChI is InChI=1S/C10H19ClN2/c1-6-7-8-10(5,11)13-12-9(2,3)4/h6H,1,7-8H2,2-5H3/b13-12+.
What are the key properties of tert-butyl(2-chlorohex-5-en-2-yl)diazene?
tert-butyl(2-chlorohex-5-en-2-yl)diazene has a molecular weight of 202.73 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(2-chlorohex-5-en-2-yl)diazene is sourced from PubChem (CID 21454768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).