cyclohexyl-(3-methyl-2-propoxybutan-2-yl)diazene

C14H28N2O — CID 21387034

IUPACcyclohexyl-(3-methyl-2-propoxybutan-2-yl)diazene
SMILESCCCOC(C)(/N=N/C1CCCCC1)C(C)C
InChIInChI=1S/C14H28N2O/c1-5-11-17-14(4,12(2)3)16-15-13-9-7-6-8-10-13/h12-13H,5-11H2,1-4H3/b16-15+
InChIKeyLHNDFDRVIKFQGY-FOCLMDBBSA-N
MW240.39 g/mol
LogP4.57
Rot. Bonds6

About cyclohexyl-(3-methyl-2-propoxybutan-2-yl)diazene

cyclohexyl-(3-methyl-2-propoxybutan-2-yl)diazene (PubChem CID 21387034) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is cyclohexyl-(3-methyl-2-propoxybutan-2-yl)diazene.

Molecular Properties

Compound Namecyclohexyl-(3-methyl-2-propoxybutan-2-yl)diazene
PubChem CID21387034
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Namecyclohexyl-(3-methyl-2-propoxybutan-2-yl)diazene
SMILESCCCOC(C)(/N=N/C1CCCCC1)C(C)C
InChIInChI=1S/C14H28N2O/c1-5-11-17-14(4,12(2)3)16-15-13-9-7-6-8-10-13/h12-13H,5-11H2,1-4H3/b16-15+
InChIKeyLHNDFDRVIKFQGY-FOCLMDBBSA-N
XLogP4.57
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(3-methyl-2-propoxybutan-2-yl)diazene?
The IUPAC name of cyclohexyl-(3-methyl-2-propoxybutan-2-yl)diazene (CID 21387034) is cyclohexyl-(3-methyl-2-propoxybutan-2-yl)diazene.
What is the SMILES notation for cyclohexyl-(3-methyl-2-propoxybutan-2-yl)diazene?
The canonical SMILES for cyclohexyl-(3-methyl-2-propoxybutan-2-yl)diazene is CCCOC(C)(/N=N/C1CCCCC1)C(C)C.
What is the InChIKey of cyclohexyl-(3-methyl-2-propoxybutan-2-yl)diazene?
The InChIKey is LHNDFDRVIKFQGY-FOCLMDBBSA-N. The full InChI is InChI=1S/C14H28N2O/c1-5-11-17-14(4,12(2)3)16-15-13-9-7-6-8-10-13/h12-13H,5-11H2,1-4H3/b16-15+.
What are the key properties of cyclohexyl-(3-methyl-2-propoxybutan-2-yl)diazene?
cyclohexyl-(3-methyl-2-propoxybutan-2-yl)diazene has a molecular weight of 240.39 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(3-methyl-2-propoxybutan-2-yl)diazene is sourced from PubChem (CID 21387034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).