(6S)-8-diazo-2,6-dimethyloct-2-ene

C10H18N2 — CID 72722697

IUPAC(6S)-8-diazo-2,6-dimethyloct-2-ene
SMILESCC(C)=CCC[C@H](C)CC=[N+]=[N-]
InChIInChI=1S/C10H18N2/c1-9(2)5-4-6-10(3)7-8-12-11/h5,8,10H,4,6-7H2,1-3H3/t10-/m0/s1
InChIKeyOCNRIPWAADPSEQ-JTQLQIEISA-N
MW166.27 g/mol
LogP3.06
Rot. Bonds5

About (6S)-8-diazo-2,6-dimethyloct-2-ene

(6S)-8-diazo-2,6-dimethyloct-2-ene (PubChem CID 72722697) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (6S)-8-diazo-2,6-dimethyloct-2-ene.

Molecular Properties

Compound Name(6S)-8-diazo-2,6-dimethyloct-2-ene
PubChem CID72722697
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(6S)-8-diazo-2,6-dimethyloct-2-ene
SMILESCC(C)=CCC[C@H](C)CC=[N+]=[N-]
InChIInChI=1S/C10H18N2/c1-9(2)5-4-6-10(3)7-8-12-11/h5,8,10H,4,6-7H2,1-3H3/t10-/m0/s1
InChIKeyOCNRIPWAADPSEQ-JTQLQIEISA-N
XLogP3.06
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6S)-8-diazo-2,6-dimethyloct-2-ene?
The IUPAC name of (6S)-8-diazo-2,6-dimethyloct-2-ene (CID 72722697) is (6S)-8-diazo-2,6-dimethyloct-2-ene.
What is the SMILES notation for (6S)-8-diazo-2,6-dimethyloct-2-ene?
The canonical SMILES for (6S)-8-diazo-2,6-dimethyloct-2-ene is CC(C)=CCC[C@H](C)CC=[N+]=[N-].
What is the InChIKey of (6S)-8-diazo-2,6-dimethyloct-2-ene?
The InChIKey is OCNRIPWAADPSEQ-JTQLQIEISA-N. The full InChI is InChI=1S/C10H18N2/c1-9(2)5-4-6-10(3)7-8-12-11/h5,8,10H,4,6-7H2,1-3H3/t10-/m0/s1.
What are the key properties of (6S)-8-diazo-2,6-dimethyloct-2-ene?
(6S)-8-diazo-2,6-dimethyloct-2-ene has a molecular weight of 166.27 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-8-diazo-2,6-dimethyloct-2-ene is sourced from PubChem (CID 72722697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).