(6E,10E)-12,12-dihydroperoxy-2,6-dimethyltrideca-2,6,10-triene

C15H26O4 — CID 135269514

IUPAC(6E,10E)-12,12-dihydroperoxy-2,6-dimethyltrideca-2,6,10-triene
SMILESCC(C)=CCC/C(C)=C/CC/C=C/C(C)(OO)OO
InChIInChI=1S/C15H26O4/c1-13(2)9-8-11-14(3)10-6-5-7-12-15(4,18-16)19-17/h7,9-10,12,16-17H,5-6,8,11H2,1-4H3/b12-7+,14-10+
InChIKeyWJABRWZOHPMLEY-QUULJSPLSA-N
MW270.37 g/mol
LogP4.71
Rot. Bonds9

About (6E,10E)-12,12-dihydroperoxy-2,6-dimethyltrideca-2,6,10-triene

(6E,10E)-12,12-dihydroperoxy-2,6-dimethyltrideca-2,6,10-triene (PubChem CID 135269514) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is (6E,10E)-12,12-dihydroperoxy-2,6-dimethyltrideca-2,6,10-triene.

Molecular Properties

Compound Name(6E,10E)-12,12-dihydroperoxy-2,6-dimethyltrideca-2,6,10-triene
PubChem CID135269514
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name(6E,10E)-12,12-dihydroperoxy-2,6-dimethyltrideca-2,6,10-triene
SMILESCC(C)=CCC/C(C)=C/CC/C=C/C(C)(OO)OO
InChIInChI=1S/C15H26O4/c1-13(2)9-8-11-14(3)10-6-5-7-12-15(4,18-16)19-17/h7,9-10,12,16-17H,5-6,8,11H2,1-4H3/b12-7+,14-10+
InChIKeyWJABRWZOHPMLEY-QUULJSPLSA-N
XLogP4.71
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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

(10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 173158415
(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
2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 173324782
(6E,10E,14E,17E)-19-hydroperoxy-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,17,22-hexaene
CID 52929830
(6E,10Z,14E,18Z)-2,10,23-trimethyltetracosa-2,6,10,14,18,22-hexaene
CID 5326453
(2E,6E,10E)-7,11,15-trimethylhexadeca-2,6,10,14-tetraen-1-ol
CID 88547692
(6E)-2,6,10,10-tetramethylundeca-2,6-diene
CID 59164889
(6E,10E,14E,18E)-2,6,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaene
CID 91751137
carbon dioxide;(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 174737986
(5E,9E,13E)-5,13,18-trimethylnonadeca-1,5,9,13,17-pentaene
CID 138968984
(6E,10Z,14E)-2,6,10,14,17,17-hexamethyloctadeca-2,6,10,14-tetraene;(6Z,10E)-2,6,10,13,13-pentamethyltetradeca-2,6,10-triene;(6E)-2,6,9,9-tetramethyldeca-2,6-diene;2,5,5-trimethylhex-2-ene
CID 163844448

Frequently Asked Questions

What is the IUPAC name of (6E,10E)-12,12-dihydroperoxy-2,6-dimethyltrideca-2,6,10-triene?
The IUPAC name of (6E,10E)-12,12-dihydroperoxy-2,6-dimethyltrideca-2,6,10-triene (CID 135269514) is (6E,10E)-12,12-dihydroperoxy-2,6-dimethyltrideca-2,6,10-triene.
What is the SMILES notation for (6E,10E)-12,12-dihydroperoxy-2,6-dimethyltrideca-2,6,10-triene?
The canonical SMILES for (6E,10E)-12,12-dihydroperoxy-2,6-dimethyltrideca-2,6,10-triene is CC(C)=CCC/C(C)=C/CC/C=C/C(C)(OO)OO.
What is the InChIKey of (6E,10E)-12,12-dihydroperoxy-2,6-dimethyltrideca-2,6,10-triene?
The InChIKey is WJABRWZOHPMLEY-QUULJSPLSA-N. The full InChI is InChI=1S/C15H26O4/c1-13(2)9-8-11-14(3)10-6-5-7-12-15(4,18-16)19-17/h7,9-10,12,16-17H,5-6,8,11H2,1-4H3/b12-7+,14-10+.
What are the key properties of (6E,10E)-12,12-dihydroperoxy-2,6-dimethyltrideca-2,6,10-triene?
(6E,10E)-12,12-dihydroperoxy-2,6-dimethyltrideca-2,6,10-triene has a molecular weight of 270.37 g/mol, XLogP of 4.71, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E)-12,12-dihydroperoxy-2,6-dimethyltrideca-2,6,10-triene is sourced from PubChem (CID 135269514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).