2-methoxypropan-2-yl(octan-2-yl)diazene

C12H26N2O — CID 21387116

IUPAC2-methoxypropan-2-yl(octan-2-yl)diazene
SMILESCCCCCCC(C)/N=N/C(C)(C)OC
InChIInChI=1S/C12H26N2O/c1-6-7-8-9-10-11(2)13-14-12(3,4)15-5/h11H,6-10H2,1-5H3/b14-13+
InChIKeyQGSYYGABJZUECW-BUHFOSPRSA-N
MW214.35 g/mol
LogP4.18
Rot. Bonds8

About 2-methoxypropan-2-yl(octan-2-yl)diazene

2-methoxypropan-2-yl(octan-2-yl)diazene (PubChem CID 21387116) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-methoxypropan-2-yl(octan-2-yl)diazene.

Molecular Properties

Compound Name2-methoxypropan-2-yl(octan-2-yl)diazene
PubChem CID21387116
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-methoxypropan-2-yl(octan-2-yl)diazene
SMILESCCCCCCC(C)/N=N/C(C)(C)OC
InChIInChI=1S/C12H26N2O/c1-6-7-8-9-10-11(2)13-14-12(3,4)15-5/h11H,6-10H2,1-5H3/b14-13+
InChIKeyQGSYYGABJZUECW-BUHFOSPRSA-N
XLogP4.18
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxypropan-2-yl(pentadecan-2-yl)diazene
CID 21387369
2-methoxypropan-2-yl(tridecan-7-yl)diazene
CID 21387067
2-chloropropan-2-yl(octan-2-yl)diazene
CID 21387185
di(octan-2-yl)diazene
CID 139695075
2-methoxy-2,3-dimethylundecane
CID 150941081
2,2,3-trimethylundecane
CID 21285055
hexan-2-yl(pentyl)diazene
CID 141139949
4-tert-butyl-3,3-dimethoxy-2,2-dimethyldodecane
CID 152688982
4-(1,1-dimethoxyethyl)-3,3-dimethyldodecane
CID 150600164
2-(1,1-dimethoxyethyl)decan-1-amine
CID 151429563
9-tert-butylhenicosane
CID 150708915
6-(trimethoxymethyl)tridecane
CID 151806345

Frequently Asked Questions

What is the IUPAC name of 2-methoxypropan-2-yl(octan-2-yl)diazene?
The IUPAC name of 2-methoxypropan-2-yl(octan-2-yl)diazene (CID 21387116) is 2-methoxypropan-2-yl(octan-2-yl)diazene.
What is the SMILES notation for 2-methoxypropan-2-yl(octan-2-yl)diazene?
The canonical SMILES for 2-methoxypropan-2-yl(octan-2-yl)diazene is CCCCCCC(C)/N=N/C(C)(C)OC.
What is the InChIKey of 2-methoxypropan-2-yl(octan-2-yl)diazene?
The InChIKey is QGSYYGABJZUECW-BUHFOSPRSA-N. The full InChI is InChI=1S/C12H26N2O/c1-6-7-8-9-10-11(2)13-14-12(3,4)15-5/h11H,6-10H2,1-5H3/b14-13+.
What are the key properties of 2-methoxypropan-2-yl(octan-2-yl)diazene?
2-methoxypropan-2-yl(octan-2-yl)diazene has a molecular weight of 214.35 g/mol, XLogP of 4.18, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxypropan-2-yl(octan-2-yl)diazene is sourced from PubChem (CID 21387116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).