(2-chloro-6-methylhept-6-en-2-yl)-(4-chlorophenyl)diazene

C14H18Cl2N2 — CID 50908467

IUPAC(2-chloro-6-methylhept-6-en-2-yl)-(4-chlorophenyl)diazene
SMILESC=C(C)CCCC(C)(Cl)/N=N/c1ccc(Cl)cc1
InChIInChI=1S/C14H18Cl2N2/c1-11(2)5-4-10-14(3,16)18-17-13-8-6-12(15)7-9-13/h6-9H,1,4-5,10H2,2-3H3/b18-17+
InChIKeyYDSIPXUYUPQFIW-ISLYRVAYSA-N
MW285.22 g/mol
LogP6.13
Rot. Bonds6

About (2-chloro-6-methylhept-6-en-2-yl)-(4-chlorophenyl)diazene

(2-chloro-6-methylhept-6-en-2-yl)-(4-chlorophenyl)diazene (PubChem CID 50908467) has the molecular formula C14H18Cl2N2 and a molecular weight of 285.22 g/mol. Its IUPAC name is (2-chloro-6-methylhept-6-en-2-yl)-(4-chlorophenyl)diazene.

Molecular Properties

Compound Name(2-chloro-6-methylhept-6-en-2-yl)-(4-chlorophenyl)diazene
PubChem CID50908467
Molecular FormulaC14H18Cl2N2
Molecular Weight285.22 g/mol
Exact Mass284.08
IUPAC Name(2-chloro-6-methylhept-6-en-2-yl)-(4-chlorophenyl)diazene
SMILESC=C(C)CCCC(C)(Cl)/N=N/c1ccc(Cl)cc1
InChIInChI=1S/C14H18Cl2N2/c1-11(2)5-4-10-14(3,16)18-17-13-8-6-12(15)7-9-13/h6-9H,1,4-5,10H2,2-3H3/b18-17+
InChIKeyYDSIPXUYUPQFIW-ISLYRVAYSA-N
XLogP6.13
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.22
LogP ≤ 56.13
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 (2-chloro-6-methylhept-6-en-2-yl)-(4-chlorophenyl)diazene?
The IUPAC name of (2-chloro-6-methylhept-6-en-2-yl)-(4-chlorophenyl)diazene (CID 50908467) is (2-chloro-6-methylhept-6-en-2-yl)-(4-chlorophenyl)diazene.
What is the SMILES notation for (2-chloro-6-methylhept-6-en-2-yl)-(4-chlorophenyl)diazene?
The canonical SMILES for (2-chloro-6-methylhept-6-en-2-yl)-(4-chlorophenyl)diazene is C=C(C)CCCC(C)(Cl)/N=N/c1ccc(Cl)cc1.
What is the InChIKey of (2-chloro-6-methylhept-6-en-2-yl)-(4-chlorophenyl)diazene?
The InChIKey is YDSIPXUYUPQFIW-ISLYRVAYSA-N. The full InChI is InChI=1S/C14H18Cl2N2/c1-11(2)5-4-10-14(3,16)18-17-13-8-6-12(15)7-9-13/h6-9H,1,4-5,10H2,2-3H3/b18-17+.
What are the key properties of (2-chloro-6-methylhept-6-en-2-yl)-(4-chlorophenyl)diazene?
(2-chloro-6-methylhept-6-en-2-yl)-(4-chlorophenyl)diazene has a molecular weight of 285.22 g/mol, XLogP of 6.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-methylhept-6-en-2-yl)-(4-chlorophenyl)diazene is sourced from PubChem (CID 50908467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).