(E)-bis(3-chloropentan-3-yl)diazene

C10H20Cl2N2 — CID 134883326

IUPAC(E)-bis(3-chloropentan-3-yl)diazene
SMILESCCC(Cl)(CC)/N=N/C(Cl)(CC)CC
InChIInChI=1S/C10H20Cl2N2/c1-5-9(11,6-2)13-14-10(12,7-3)8-4/h5-8H2,1-4H3/b14-13+
InChIKeyPHUYKIJIHYSLAD-BUHFOSPRSA-N
MW239.19 g/mol
LogP4.95
Rot. Bonds6

About (E)-bis(3-chloropentan-3-yl)diazene

(E)-bis(3-chloropentan-3-yl)diazene (PubChem CID 134883326) has the molecular formula C10H20Cl2N2 and a molecular weight of 239.19 g/mol. Its IUPAC name is (E)-bis(3-chloropentan-3-yl)diazene.

Molecular Properties

Compound Name(E)-bis(3-chloropentan-3-yl)diazene
PubChem CID134883326
Molecular FormulaC10H20Cl2N2
Molecular Weight239.19 g/mol
Exact Mass238.10
IUPAC Name(E)-bis(3-chloropentan-3-yl)diazene
SMILESCCC(Cl)(CC)/N=N/C(Cl)(CC)CC
InChIInChI=1S/C10H20Cl2N2/c1-5-9(11,6-2)13-14-10(12,7-3)8-4/h5-8H2,1-4H3/b14-13+
InChIKeyPHUYKIJIHYSLAD-BUHFOSPRSA-N
XLogP4.95
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.19
LogP ≤ 54.95
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': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1,1,1-trichloropropane;trihydrochloride
CID 175077591
2-chloro-1,1,1-trifluoro-2-(trifluoromethyl)butane
CID 89150301
alumane;2,2-dichlorobutane
CID 173433113
dichloromethane;1,1,1-trichloropropane
CID 23328703
methanol;1,1,1-trichloropropane
CID 160733692
2-chloro-2-methylbutane;methanol
CID 88619841
1,1,1,2,2-pentachlorobutane
CID 14833469
1-chloro-1,1-difluoropropane;trichloro(fluoro)methane
CID 135365106
butane;tetrachloromethane
CID 175704167
1,1-dichloro-1-(1,1-dichloropropylperoxy)propane
CID 156787145
1-chloro-1-iodopropan-1-ol
CID 23322646
1,1,2,2-tetrachloroethane;1,1,1-trichloropropane
CID 18956861

Frequently Asked Questions

What is the IUPAC name of (E)-bis(3-chloropentan-3-yl)diazene?
The IUPAC name of (E)-bis(3-chloropentan-3-yl)diazene (CID 134883326) is (E)-bis(3-chloropentan-3-yl)diazene.
What is the SMILES notation for (E)-bis(3-chloropentan-3-yl)diazene?
The canonical SMILES for (E)-bis(3-chloropentan-3-yl)diazene is CCC(Cl)(CC)/N=N/C(Cl)(CC)CC.
What is the InChIKey of (E)-bis(3-chloropentan-3-yl)diazene?
The InChIKey is PHUYKIJIHYSLAD-BUHFOSPRSA-N. The full InChI is InChI=1S/C10H20Cl2N2/c1-5-9(11,6-2)13-14-10(12,7-3)8-4/h5-8H2,1-4H3/b14-13+.
What are the key properties of (E)-bis(3-chloropentan-3-yl)diazene?
(E)-bis(3-chloropentan-3-yl)diazene has a molecular weight of 239.19 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-bis(3-chloropentan-3-yl)diazene is sourced from PubChem (CID 134883326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).