(6E,10E,14E,17E)-19-hydroperoxy-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,17,22-hexaene

C30H50O2 — CID 52929830

IUPAC(6E,10E,14E,17E)-19-hydroperoxy-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,17,22-hexaene
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)C/C=C/C(C)(CCC=C(C)C)OO
InChIInChI=1S/C30H50O2/c1-25(2)15-11-19-29(7)21-12-20-27(5)17-9-10-18-28(6)22-14-24-30(8,32-31)23-13-16-26(3)4/h14-18,21,24,31H,9-13,19-20,22-23H2,1-8H3/b24-14+,27-17+,28-18+,29-21+
InChIKeyOZLIGIODXZGLIU-BEWYHWPSSA-N
MW442.73 g/mol
LogP10.07
Rot. Bonds16

About (6E,10E,14E,17E)-19-hydroperoxy-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,17,22-hexaene

(6E,10E,14E,17E)-19-hydroperoxy-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,17,22-hexaene (PubChem CID 52929830) has the molecular formula C30H50O2 and a molecular weight of 442.73 g/mol. Its IUPAC name is (6E,10E,14E,17E)-19-hydroperoxy-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,17,22-hexaene.

Molecular Properties

Compound Name(6E,10E,14E,17E)-19-hydroperoxy-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,17,22-hexaene
PubChem CID52929830
Molecular FormulaC30H50O2
Molecular Weight442.73 g/mol
Exact Mass442.38
IUPAC Name(6E,10E,14E,17E)-19-hydroperoxy-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,17,22-hexaene
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)C/C=C/C(C)(CCC=C(C)C)OO
InChIInChI=1S/C30H50O2/c1-25(2)15-11-19-29(7)21-12-20-27(5)17-9-10-18-28(6)22-14-24-30(8,32-31)23-13-16-26(3)4/h14-18,21,24,31H,9-13,19-20,22-23H2,1-8H3/b24-14+,27-17+,28-18+,29-21+
InChIKeyOZLIGIODXZGLIU-BEWYHWPSSA-N
XLogP10.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.73
LogP ≤ 510.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

(6E,10E)-12,12-dihydroperoxy-2,6-dimethyltrideca-2,6,10-triene
CID 135269514
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(6Z,10Z,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 24871318
(14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 131954652
(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(6E)-2,6,10,10-tetramethylundeca-2,6-diene
CID 59164889
1-(3,7-dimethylocta-1,6-dien-3-yloxy)-3,7-dimethylocta-2,6-diene
CID 76549407
(5E)-2-cyclopropyl-6,10-dimethylundeca-5,9-dien-2-ol
CID 15599953
2,6,10,14-tetramethylhexadeca-3,6,10,15-tetraene-2,14-diol
CID 163100315
(2E,6E,10E)-7,11,15-trimethylhexadeca-2,6,10,14-tetraen-1-ol
CID 88547692
(6E,10E,14E,18E)-2,6,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaene
CID 91751137
(2E,6E,10E,14E,18E,22E,26Z,30Z,34Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-ol
CID 172806438

Frequently Asked Questions

What is the IUPAC name of (6E,10E,14E,17E)-19-hydroperoxy-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,17,22-hexaene?
The IUPAC name of (6E,10E,14E,17E)-19-hydroperoxy-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,17,22-hexaene (CID 52929830) is (6E,10E,14E,17E)-19-hydroperoxy-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,17,22-hexaene.
What is the SMILES notation for (6E,10E,14E,17E)-19-hydroperoxy-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,17,22-hexaene?
The canonical SMILES for (6E,10E,14E,17E)-19-hydroperoxy-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,17,22-hexaene is CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)C/C=C/C(C)(CCC=C(C)C)OO.
What is the InChIKey of (6E,10E,14E,17E)-19-hydroperoxy-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,17,22-hexaene?
The InChIKey is OZLIGIODXZGLIU-BEWYHWPSSA-N. The full InChI is InChI=1S/C30H50O2/c1-25(2)15-11-19-29(7)21-12-20-27(5)17-9-10-18-28(6)22-14-24-30(8,32-31)23-13-16-26(3)4/h14-18,21,24,31H,9-13,19-20,22-23H2,1-8H3/b24-14+,27-17+,28-18+,29-21+.
What are the key properties of (6E,10E,14E,17E)-19-hydroperoxy-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,17,22-hexaene?
(6E,10E,14E,17E)-19-hydroperoxy-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,17,22-hexaene has a molecular weight of 442.73 g/mol, XLogP of 10.07, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E,14E,17E)-19-hydroperoxy-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,17,22-hexaene is sourced from PubChem (CID 52929830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).