(1-chloro-3-methylpent-4-enyl)-phosphanyldiazene

C6H12ClN2P — CID 118101867

IUPAC(1-chloro-3-methylpent-4-enyl)-phosphanyldiazene
SMILESC=CC(C)CC(Cl)N=NP
InChIInChI=1S/C6H12ClN2P/c1-3-5(2)4-6(7)8-9-10/h3,5-6H,1,4,10H2,2H3
InChIKeyJOZGLYSZONWOGZ-UHFFFAOYSA-N
MW178.60 g/mol
LogP3.01
Rot. Bonds4

About (1-chloro-3-methylpent-4-enyl)-phosphanyldiazene

(1-chloro-3-methylpent-4-enyl)-phosphanyldiazene (PubChem CID 118101867) has the molecular formula C6H12ClN2P and a molecular weight of 178.60 g/mol. Its IUPAC name is (1-chloro-3-methylpent-4-enyl)-phosphanyldiazene.

Molecular Properties

Compound Name(1-chloro-3-methylpent-4-enyl)-phosphanyldiazene
PubChem CID118101867
Molecular FormulaC6H12ClN2P
Molecular Weight178.60 g/mol
Exact Mass178.04
IUPAC Name(1-chloro-3-methylpent-4-enyl)-phosphanyldiazene
SMILESC=CC(C)CC(Cl)N=NP
InChIInChI=1S/C6H12ClN2P/c1-3-5(2)4-6(7)8-9-10/h3,5-6H,1,4,10H2,2H3
InChIKeyJOZGLYSZONWOGZ-UHFFFAOYSA-N
XLogP3.01
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.60
LogP ≤ 53.01
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 (1-chloro-3-methylpent-4-enyl)-phosphanyldiazene?
The IUPAC name of (1-chloro-3-methylpent-4-enyl)-phosphanyldiazene (CID 118101867) is (1-chloro-3-methylpent-4-enyl)-phosphanyldiazene.
What is the SMILES notation for (1-chloro-3-methylpent-4-enyl)-phosphanyldiazene?
The canonical SMILES for (1-chloro-3-methylpent-4-enyl)-phosphanyldiazene is C=CC(C)CC(Cl)N=NP.
What is the InChIKey of (1-chloro-3-methylpent-4-enyl)-phosphanyldiazene?
The InChIKey is JOZGLYSZONWOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12ClN2P/c1-3-5(2)4-6(7)8-9-10/h3,5-6H,1,4,10H2,2H3.
What are the key properties of (1-chloro-3-methylpent-4-enyl)-phosphanyldiazene?
(1-chloro-3-methylpent-4-enyl)-phosphanyldiazene has a molecular weight of 178.60 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chloro-3-methylpent-4-enyl)-phosphanyldiazene is sourced from PubChem (CID 118101867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).