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

C10H19N3 — CID 135039163

IUPAC(6R)-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-/m1/s1
InChIKeyYSRHILCAYSDFSB-SNVBAGLBSA-N
MW181.28 g/mol
LogP4.07
Rot. Bonds6

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

(6R)-8-azido-2,6-dimethyloct-2-ene (PubChem CID 135039163) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is (6R)-8-azido-2,6-dimethyloct-2-ene.

Molecular Properties

Compound Name(6R)-8-azido-2,6-dimethyloct-2-ene
PubChem CID135039163
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name(6R)-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-/m1/s1
InChIKeyYSRHILCAYSDFSB-SNVBAGLBSA-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

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3-(Azidomethyl)-1-methylcyclohexene
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2(R),3(S),7-trimethyl-1-azido-6-octene
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(3R,4S,5S)-3-azido-1,4-dimethyl-5-prop-2-enylcyclohexene
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CID 89848796
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Frequently Asked Questions

What is the IUPAC name of (6R)-8-azido-2,6-dimethyloct-2-ene?
The IUPAC name of (6R)-8-azido-2,6-dimethyloct-2-ene (CID 135039163) is (6R)-8-azido-2,6-dimethyloct-2-ene.
What is the SMILES notation for (6R)-8-azido-2,6-dimethyloct-2-ene?
The canonical SMILES for (6R)-8-azido-2,6-dimethyloct-2-ene is CC(C)=CCC[C@@H](C)CCN=[N+]=[N-].
What is the InChIKey of (6R)-8-azido-2,6-dimethyloct-2-ene?
The InChIKey is YSRHILCAYSDFSB-SNVBAGLBSA-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-/m1/s1.
What are the key properties of (6R)-8-azido-2,6-dimethyloct-2-ene?
(6R)-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 (6R)-8-azido-2,6-dimethyloct-2-ene is sourced from PubChem (CID 135039163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).