[(4R,6R)-6-azidonon-8-en-4-yl]oxymethylbenzene

C16H23N3O — CID 56968578

IUPAC[(4R,6R)-6-azidonon-8-en-4-yl]oxymethylbenzene
SMILESC=CC[C@H](C[C@@H](CCC)OCc1ccccc1)N=[N+]=[N-]
InChIInChI=1S/C16H23N3O/c1-3-8-15(18-19-17)12-16(9-4-2)20-13-14-10-6-5-7-11-14/h3,5-7,10-11,15-16H,1,4,8-9,12-13H2,2H3/t15-,16-/m1/s1
InChIKeyPCZALQDWYWCHBH-HZPDHXFCSA-N
MW273.38 g/mol
LogP5.02
Rot. Bonds10

About [(4R,6R)-6-azidonon-8-en-4-yl]oxymethylbenzene

[(4R,6R)-6-azidonon-8-en-4-yl]oxymethylbenzene (PubChem CID 56968578) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is [(4R,6R)-6-azidonon-8-en-4-yl]oxymethylbenzene.

Molecular Properties

Compound Name[(4R,6R)-6-azidonon-8-en-4-yl]oxymethylbenzene
PubChem CID56968578
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name[(4R,6R)-6-azidonon-8-en-4-yl]oxymethylbenzene
SMILESC=CC[C@H](C[C@@H](CCC)OCc1ccccc1)N=[N+]=[N-]
InChIInChI=1S/C16H23N3O/c1-3-8-15(18-19-17)12-16(9-4-2)20-13-14-10-6-5-7-11-14/h3,5-7,10-11,15-16H,1,4,8-9,12-13H2,2H3/t15-,16-/m1/s1
InChIKeyPCZALQDWYWCHBH-HZPDHXFCSA-N
XLogP5.02
TPSA57.99 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.38
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

hexan-3-yloxymethylbenzene
CID 20782034
octa-1,7-dien-4-yloxymethylbenzene
CID 90067703
[(4R,6R)-6-phenylmethoxydec-1-en-4-yl] prop-2-enoate
CID 25105662
[(2S,4R)-4-ethenylheptan-2-yl]oxymethylbenzene
CID 145114900
[(1S,3R)-1-[(1S)-1-azidoethyl]-3-phenylmethoxyhept-6-ynoxy]methylbenzene
CID 42636691
[(4R,6S)-6-(methoxymethoxy)hept-1-en-4-yl]oxymethylbenzene
CID 71496897
tert-butyl-dimethyl-(6-phenylmethoxytridec-1-en-4-ylperoxy)silane
CID 102465931
(2S,3S,4R)-4-azido-2,3,5-tris(phenylmethoxy)pentanal
CID 102408830
1-methyl-4-(2-phenylmethoxypent-4-enoxy)benzene
CID 21317630
(4R,6R)-5,5-dimethyl-6-phenylmethoxynona-1,8-dien-4-ol
CID 25018953
1,1,1-trifluoropent-4-en-2-yloxymethylbenzene
CID 175434069
(2-methoxy-2-non-1-en-4-yloxyethyl)benzene
CID 100992819

Frequently Asked Questions

What is the IUPAC name of [(4R,6R)-6-azidonon-8-en-4-yl]oxymethylbenzene?
The IUPAC name of [(4R,6R)-6-azidonon-8-en-4-yl]oxymethylbenzene (CID 56968578) is [(4R,6R)-6-azidonon-8-en-4-yl]oxymethylbenzene.
What is the SMILES notation for [(4R,6R)-6-azidonon-8-en-4-yl]oxymethylbenzene?
The canonical SMILES for [(4R,6R)-6-azidonon-8-en-4-yl]oxymethylbenzene is C=CC[C@H](C[C@@H](CCC)OCc1ccccc1)N=[N+]=[N-].
What is the InChIKey of [(4R,6R)-6-azidonon-8-en-4-yl]oxymethylbenzene?
The InChIKey is PCZALQDWYWCHBH-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-8-15(18-19-17)12-16(9-4-2)20-13-14-10-6-5-7-11-14/h3,5-7,10-11,15-16H,1,4,8-9,12-13H2,2H3/t15-,16-/m1/s1.
What are the key properties of [(4R,6R)-6-azidonon-8-en-4-yl]oxymethylbenzene?
[(4R,6R)-6-azidonon-8-en-4-yl]oxymethylbenzene has a molecular weight of 273.38 g/mol, XLogP of 5.02, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,6R)-6-azidonon-8-en-4-yl]oxymethylbenzene is sourced from PubChem (CID 56968578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).