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

C10H19N3 — CID 14814944

IUPAC(6S)-8-azido-2,6-dimethyloct-2-ene
SMILESCC(C)=CCC[C@H](C)CCN=[N+]=[N-]
InChIInChI=1S/C10H19N3/c1-9(2)5-4-6-10(3)7-8-12-13-11/h5,10H,4,6-8H2,1-3H3/t10-/m0/s1
InChIKeyYSRHILCAYSDFSB-JTQLQIEISA-N
MW181.28 g/mol
LogP4.07
Rot. Bonds6

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

(6S)-8-azido-2,6-dimethyloct-2-ene (PubChem CID 14814944) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is (6S)-8-azido-2,6-dimethyloct-2-ene.

Molecular Properties

Compound Name(6S)-8-azido-2,6-dimethyloct-2-ene
PubChem CID14814944
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name(6S)-8-azido-2,6-dimethyloct-2-ene
SMILESCC(C)=CCC[C@H](C)CCN=[N+]=[N-]
InChIInChI=1S/C10H19N3/c1-9(2)5-4-6-10(3)7-8-12-13-11/h5,10H,4,6-8H2,1-3H3/t10-/m0/s1
InChIKeyYSRHILCAYSDFSB-JTQLQIEISA-N
XLogP4.07
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Citronellyl azide
CID 11412737
(6R)-8-azido-2,6-dimethyloct-2-ene
CID 135039163
4-(Azidomethyl)cyclohex-1-ene
CID 13512614
3-(Azidomethyl)-1-ethylcyclohexene
CID 18621673
1-(Azidomethyl)-3-methylcyclopentene
CID 18621676
3-(Azidomethyl)-1-methylcyclohexene
CID 18621683
2(R),3(S),7-trimethyl-1-azido-6-octene
CID 22872575
(3S,4R,5R)-4-azido-1,3,5-trimethylcyclohexene
CID 58150819
(3E)-6-azido-4-ethyl-3-ethylidenehex-1-ene
CID 58272050
(3R,4S,5S)-3-azido-1,4-dimethyl-5-prop-2-enylcyclohexene
CID 59076472
3-(2-Azidoethyl)cyclopentene
CID 89848796
(5R,6S,7S,8E)-7-azido-2,5,6,8-tetramethyldeca-2,8-diene
CID 124194400

Frequently Asked Questions

What is the IUPAC name of (6S)-8-azido-2,6-dimethyloct-2-ene?
The IUPAC name of (6S)-8-azido-2,6-dimethyloct-2-ene (CID 14814944) is (6S)-8-azido-2,6-dimethyloct-2-ene.
What is the SMILES notation for (6S)-8-azido-2,6-dimethyloct-2-ene?
The canonical SMILES for (6S)-8-azido-2,6-dimethyloct-2-ene is CC(C)=CCC[C@H](C)CCN=[N+]=[N-].
What is the InChIKey of (6S)-8-azido-2,6-dimethyloct-2-ene?
The InChIKey is YSRHILCAYSDFSB-JTQLQIEISA-N. The full InChI is InChI=1S/C10H19N3/c1-9(2)5-4-6-10(3)7-8-12-13-11/h5,10H,4,6-8H2,1-3H3/t10-/m0/s1.
What are the key properties of (6S)-8-azido-2,6-dimethyloct-2-ene?
(6S)-8-azido-2,6-dimethyloct-2-ene has a molecular weight of 181.28 g/mol, XLogP of 4.07, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-8-azido-2,6-dimethyloct-2-ene is sourced from PubChem (CID 14814944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).