(E)-2-hydroxy-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]ethenediazonium

C17H27N2O2+ — CID 10946207

IUPAC(E)-2-hydroxy-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]ethenediazonium
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CO/C(O)=C/[N+]#N
InChIInChI=1S/C17H26N2O2/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-21-17(20)13-19-18/h7,9,11,13H,5-6,8,10,12H2,1-4H3/p+1/b15-9+,16-11+,17-13+
InChIKeyHZLDTMFBTHHXNV-JFQFLZNYSA-O
MW291.42 g/mol
LogP5.63
Rot. Bonds9

About (E)-2-hydroxy-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]ethenediazonium

(E)-2-hydroxy-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]ethenediazonium (PubChem CID 10946207) has the molecular formula C17H27N2O2+ and a molecular weight of 291.42 g/mol. Its IUPAC name is (E)-2-hydroxy-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]ethenediazonium.

Molecular Properties

Compound Name(E)-2-hydroxy-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]ethenediazonium
PubChem CID10946207
Molecular FormulaC17H27N2O2+
Molecular Weight291.42 g/mol
Exact Mass291.21
IUPAC Name(E)-2-hydroxy-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]ethenediazonium
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CO/C(O)=C/[N+]#N
InChIInChI=1S/C17H26N2O2/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-21-17(20)13-19-18/h7,9,11,13H,5-6,8,10,12H2,1-4H3/p+1/b15-9+,16-11+,17-13+
InChIKeyHZLDTMFBTHHXNV-JFQFLZNYSA-O
XLogP5.63
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.42
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (E)-2-hydroxy-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]ethenediazonium with MolForge

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Launch Full Analysis

Related Compounds

(E)-2-[(2E,6E)-9-[(2R)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoxy]-2-hydroxyethenediazonium
CID 6540641
3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyl acetate
CID 78421842
[(2E,6Z,10E,14Z,18Z,22E,26E,30Z,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl] (4Z)-5,9-dimethyldeca-4,8-dienoate
CID 24837329
alumane;[(2E)-3,7-dimethylocta-2,6-dienyl] (4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trienoate
CID 173458280
bis[(2Z)-3,7-dimethylocta-2,6-dienyl] butanedioate
CID 57495010
[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl] 2-aminoacetate
CID 46937945
O-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] propanethioate
CID 147404426
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
O-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl] butanethioate
CID 149184814

Frequently Asked Questions

What is the IUPAC name of (E)-2-hydroxy-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]ethenediazonium?
The IUPAC name of (E)-2-hydroxy-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]ethenediazonium (CID 10946207) is (E)-2-hydroxy-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]ethenediazonium.
What is the SMILES notation for (E)-2-hydroxy-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]ethenediazonium?
The canonical SMILES for (E)-2-hydroxy-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]ethenediazonium is CC(C)=CCC/C(C)=C/CC/C(C)=C/CO/C(O)=C/[N+]#N.
What is the InChIKey of (E)-2-hydroxy-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]ethenediazonium?
The InChIKey is HZLDTMFBTHHXNV-JFQFLZNYSA-O. The full InChI is InChI=1S/C17H26N2O2/c1-14(2)7-5-8-15(3)9-6-10-16(4)11-12-21-17(20)13-19-18/h7,9,11,13H,5-6,8,10,12H2,1-4H3/p+1/b15-9+,16-11+,17-13+.
What are the key properties of (E)-2-hydroxy-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]ethenediazonium?
(E)-2-hydroxy-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]ethenediazonium has a molecular weight of 291.42 g/mol, XLogP of 5.63, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-hydroxy-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]ethenediazonium is sourced from PubChem (CID 10946207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).