bis(2-chloro-4-methoxy-4-methylpentan-2-yl)diazene

C14H28Cl2N2O2 — CID 139700863

IUPACbis(2-chloro-4-methoxy-4-methylpentan-2-yl)diazene
SMILESCOC(C)(C)CC(C)(Cl)N=NC(C)(Cl)CC(C)(C)OC
InChIInChI=1S/C14H28Cl2N2O2/c1-11(2,19-7)9-13(5,15)17-18-14(6,16)10-12(3,4)20-8/h9-10H2,1-8H3
InChIKeyXNCUBCPABHJXLM-UHFFFAOYSA-N
MW327.30 g/mol
LogP4.98
Rot. Bonds8

About bis(2-chloro-4-methoxy-4-methylpentan-2-yl)diazene

bis(2-chloro-4-methoxy-4-methylpentan-2-yl)diazene (PubChem CID 139700863) has the molecular formula C14H28Cl2N2O2 and a molecular weight of 327.30 g/mol. Its IUPAC name is bis(2-chloro-4-methoxy-4-methylpentan-2-yl)diazene.

Molecular Properties

Compound Namebis(2-chloro-4-methoxy-4-methylpentan-2-yl)diazene
PubChem CID139700863
Molecular FormulaC14H28Cl2N2O2
Molecular Weight327.30 g/mol
Exact Mass326.15
IUPAC Namebis(2-chloro-4-methoxy-4-methylpentan-2-yl)diazene
SMILESCOC(C)(C)CC(C)(Cl)N=NC(C)(Cl)CC(C)(C)OC
InChIInChI=1S/C14H28Cl2N2O2/c1-11(2,19-7)9-13(5,15)17-18-14(6,16)10-12(3,4)20-8/h9-10H2,1-8H3
InChIKeyXNCUBCPABHJXLM-UHFFFAOYSA-N
XLogP4.98
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(2-chloro-4-methoxy-4-methylpentan-2-yl)diazene?
The IUPAC name of bis(2-chloro-4-methoxy-4-methylpentan-2-yl)diazene (CID 139700863) is bis(2-chloro-4-methoxy-4-methylpentan-2-yl)diazene.
What is the SMILES notation for bis(2-chloro-4-methoxy-4-methylpentan-2-yl)diazene?
The canonical SMILES for bis(2-chloro-4-methoxy-4-methylpentan-2-yl)diazene is COC(C)(C)CC(C)(Cl)N=NC(C)(Cl)CC(C)(C)OC.
What is the InChIKey of bis(2-chloro-4-methoxy-4-methylpentan-2-yl)diazene?
The InChIKey is XNCUBCPABHJXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28Cl2N2O2/c1-11(2,19-7)9-13(5,15)17-18-14(6,16)10-12(3,4)20-8/h9-10H2,1-8H3.
What are the key properties of bis(2-chloro-4-methoxy-4-methylpentan-2-yl)diazene?
bis(2-chloro-4-methoxy-4-methylpentan-2-yl)diazene has a molecular weight of 327.30 g/mol, XLogP of 4.98, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-chloro-4-methoxy-4-methylpentan-2-yl)diazene is sourced from PubChem (CID 139700863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).