(6S,7R)-8-azido-2,6,7-trimethyloct-2-ene

C11H21N3 — CID 22872575

IUPAC(6S,7R)-8-azido-2,6,7-trimethyloct-2-ene
SMILESCC(C)=CCC[C@H](C)[C@@H](C)CN=[N+]=[N-]
InChIInChI=1S/C11H21N3/c1-9(2)6-5-7-10(3)11(4)8-13-14-12/h6,10-11H,5,7-8H2,1-4H3/t10-,11-/m0/s1
InChIKeyXWSOOFBFCNSDCB-QWRGUYRKSA-N
MW195.31 g/mol
LogP4.32
Rot. Bonds6

About (6S,7R)-8-azido-2,6,7-trimethyloct-2-ene

(6S,7R)-8-azido-2,6,7-trimethyloct-2-ene (PubChem CID 22872575) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is (6S,7R)-8-azido-2,6,7-trimethyloct-2-ene.

Molecular Properties

Compound Name(6S,7R)-8-azido-2,6,7-trimethyloct-2-ene
PubChem CID22872575
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name(6S,7R)-8-azido-2,6,7-trimethyloct-2-ene
SMILESCC(C)=CCC[C@H](C)[C@@H](C)CN=[N+]=[N-]
InChIInChI=1S/C11H21N3/c1-9(2)6-5-7-10(3)11(4)8-13-14-12/h6,10-11H,5,7-8H2,1-4H3/t10-,11-/m0/s1
InChIKeyXWSOOFBFCNSDCB-QWRGUYRKSA-N
XLogP4.32
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 54.32
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
1-(Azidomethyl)-3-methylcyclopentene
CID 18621676
3-(Azidomethyl)-1-methylcyclohexene
CID 18621683
(3E)-6-azido-4-ethyl-3-ethylidenehex-1-ene
CID 58272050
(E,2R,3R)-1-azido-2,3-dimethylheptadec-5-ene
CID 58988397
(3R,4S,5S)-3-azido-1,4-dimethyl-5-prop-2-enylcyclohexene
CID 59076472
(3R,4S,5S)-3-azido-5-ethenyl-1,4-dimethylcyclohexene
CID 59076484
(3S,4S,5S)-5-azido-1,4-dimethyl-3-prop-2-enylcyclohexene
CID 59076509
(3R,5S)-3-azido-5-ethenyl-1,4-dimethylcyclohexene
CID 59076594
(4R)-4,5-bis(azidomethyl)cyclohexene
CID 59766093
(2R,3R)-1-azido-2,3-dimethylheptadec-5-ene
CID 91378632

Frequently Asked Questions

What is the IUPAC name of (6S,7R)-8-azido-2,6,7-trimethyloct-2-ene?
The IUPAC name of (6S,7R)-8-azido-2,6,7-trimethyloct-2-ene (CID 22872575) is (6S,7R)-8-azido-2,6,7-trimethyloct-2-ene.
What is the SMILES notation for (6S,7R)-8-azido-2,6,7-trimethyloct-2-ene?
The canonical SMILES for (6S,7R)-8-azido-2,6,7-trimethyloct-2-ene is CC(C)=CCC[C@H](C)[C@@H](C)CN=[N+]=[N-].
What is the InChIKey of (6S,7R)-8-azido-2,6,7-trimethyloct-2-ene?
The InChIKey is XWSOOFBFCNSDCB-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H21N3/c1-9(2)6-5-7-10(3)11(4)8-13-14-12/h6,10-11H,5,7-8H2,1-4H3/t10-,11-/m0/s1.
What are the key properties of (6S,7R)-8-azido-2,6,7-trimethyloct-2-ene?
(6S,7R)-8-azido-2,6,7-trimethyloct-2-ene has a molecular weight of 195.31 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7R)-8-azido-2,6,7-trimethyloct-2-ene is sourced from PubChem (CID 22872575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).