(4-methoxy-2,6-dimethylheptan-4-yl)-(6-methyloctan-4-yl)diazene

C19H40N2O — CID 21387004

IUPAC(4-methoxy-2,6-dimethylheptan-4-yl)-(6-methyloctan-4-yl)diazene
SMILESCCCC(CC(C)CC)/N=N/C(CC(C)C)(CC(C)C)OC
InChIInChI=1S/C19H40N2O/c1-9-11-18(12-17(7)10-2)20-21-19(22-8,13-15(3)4)14-16(5)6/h15-18H,9-14H2,1-8H3/b21-20+
InChIKeyLTQYXQVJANQIJY-QZQOTICOSA-N
MW312.54 g/mol
LogP6.48
Rot. Bonds12

About (4-methoxy-2,6-dimethylheptan-4-yl)-(6-methyloctan-4-yl)diazene

(4-methoxy-2,6-dimethylheptan-4-yl)-(6-methyloctan-4-yl)diazene (PubChem CID 21387004) has the molecular formula C19H40N2O and a molecular weight of 312.54 g/mol. Its IUPAC name is (4-methoxy-2,6-dimethylheptan-4-yl)-(6-methyloctan-4-yl)diazene.

Molecular Properties

Compound Name(4-methoxy-2,6-dimethylheptan-4-yl)-(6-methyloctan-4-yl)diazene
PubChem CID21387004
Molecular FormulaC19H40N2O
Molecular Weight312.54 g/mol
Exact Mass312.31
IUPAC Name(4-methoxy-2,6-dimethylheptan-4-yl)-(6-methyloctan-4-yl)diazene
SMILESCCCC(CC(C)CC)/N=N/C(CC(C)C)(CC(C)C)OC
InChIInChI=1S/C19H40N2O/c1-9-11-18(12-17(7)10-2)20-21-19(22-8,13-15(3)4)14-16(5)6/h15-18H,9-14H2,1-8H3/b21-20+
InChIKeyLTQYXQVJANQIJY-QZQOTICOSA-N
XLogP6.48
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.54
LogP ≤ 56.48
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 (4-methoxy-2,6-dimethylheptan-4-yl)-(6-methyloctan-4-yl)diazene?
The IUPAC name of (4-methoxy-2,6-dimethylheptan-4-yl)-(6-methyloctan-4-yl)diazene (CID 21387004) is (4-methoxy-2,6-dimethylheptan-4-yl)-(6-methyloctan-4-yl)diazene.
What is the SMILES notation for (4-methoxy-2,6-dimethylheptan-4-yl)-(6-methyloctan-4-yl)diazene?
The canonical SMILES for (4-methoxy-2,6-dimethylheptan-4-yl)-(6-methyloctan-4-yl)diazene is CCCC(CC(C)CC)/N=N/C(CC(C)C)(CC(C)C)OC.
What is the InChIKey of (4-methoxy-2,6-dimethylheptan-4-yl)-(6-methyloctan-4-yl)diazene?
The InChIKey is LTQYXQVJANQIJY-QZQOTICOSA-N. The full InChI is InChI=1S/C19H40N2O/c1-9-11-18(12-17(7)10-2)20-21-19(22-8,13-15(3)4)14-16(5)6/h15-18H,9-14H2,1-8H3/b21-20+.
What are the key properties of (4-methoxy-2,6-dimethylheptan-4-yl)-(6-methyloctan-4-yl)diazene?
(4-methoxy-2,6-dimethylheptan-4-yl)-(6-methyloctan-4-yl)diazene has a molecular weight of 312.54 g/mol, XLogP of 6.48, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2,6-dimethylheptan-4-yl)-(6-methyloctan-4-yl)diazene is sourced from PubChem (CID 21387004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).