[(Z)-2-methylhex-3-en-3-yl]-prop-1-en-2-yldiazene

C10H18N2 — CID 176953157

IUPAC[(Z)-2-methylhex-3-en-3-yl]-prop-1-en-2-yldiazene
SMILESC=C(C)/N=N/C(=C\CC)C(C)C
InChIInChI=1S/C10H18N2/c1-6-7-10(8(2)3)12-11-9(4)5/h7-8H,4,6H2,1-3,5H3/b10-7-,12-11+
InChIKeyGBHJKOXTIMDCDM-UPXUIUAPSA-N
MW166.27 g/mol
LogP3.92
Rot. Bonds4

About [(Z)-2-methylhex-3-en-3-yl]-prop-1-en-2-yldiazene

[(Z)-2-methylhex-3-en-3-yl]-prop-1-en-2-yldiazene (PubChem CID 176953157) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is [(Z)-2-methylhex-3-en-3-yl]-prop-1-en-2-yldiazene.

Molecular Properties

Compound Name[(Z)-2-methylhex-3-en-3-yl]-prop-1-en-2-yldiazene
PubChem CID176953157
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name[(Z)-2-methylhex-3-en-3-yl]-prop-1-en-2-yldiazene
SMILESC=C(C)/N=N/C(=C\CC)C(C)C
InChIInChI=1S/C10H18N2/c1-6-7-10(8(2)3)12-11-9(4)5/h7-8H,4,6H2,1-3,5H3/b10-7-,12-11+
InChIKeyGBHJKOXTIMDCDM-UPXUIUAPSA-N
XLogP3.92
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 [(Z)-2-methylhex-3-en-3-yl]-prop-1-en-2-yldiazene?
The IUPAC name of [(Z)-2-methylhex-3-en-3-yl]-prop-1-en-2-yldiazene (CID 176953157) is [(Z)-2-methylhex-3-en-3-yl]-prop-1-en-2-yldiazene.
What is the SMILES notation for [(Z)-2-methylhex-3-en-3-yl]-prop-1-en-2-yldiazene?
The canonical SMILES for [(Z)-2-methylhex-3-en-3-yl]-prop-1-en-2-yldiazene is C=C(C)/N=N/C(=C\CC)C(C)C.
What is the InChIKey of [(Z)-2-methylhex-3-en-3-yl]-prop-1-en-2-yldiazene?
The InChIKey is GBHJKOXTIMDCDM-UPXUIUAPSA-N. The full InChI is InChI=1S/C10H18N2/c1-6-7-10(8(2)3)12-11-9(4)5/h7-8H,4,6H2,1-3,5H3/b10-7-,12-11+.
What are the key properties of [(Z)-2-methylhex-3-en-3-yl]-prop-1-en-2-yldiazene?
[(Z)-2-methylhex-3-en-3-yl]-prop-1-en-2-yldiazene has a molecular weight of 166.27 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-methylhex-3-en-3-yl]-prop-1-en-2-yldiazene is sourced from PubChem (CID 176953157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).