(6E,10E,14E)-18-hydroperoxy-2,6,10,15,23-pentamethyl-19-methylidenetetracosa-2,6,10,14,22-pentaene

C30H50O2 — CID 52929831

IUPAC(6E,10E,14E)-18-hydroperoxy-2,6,10,15,23-pentamethyl-19-methylidenetetracosa-2,6,10,14,22-pentaene
SMILESC=C(CCC=C(C)C)C(CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)OO
InChIInChI=1S/C30H50O2/c1-24(2)14-11-18-27(6)20-13-19-26(5)16-9-10-17-28(7)22-23-30(32-31)29(8)21-12-15-25(3)4/h14-17,20,30-31H,8-13,18-19,21-23H2,1-7H3/b26-16+,27-20+,28-17+
InChIKeyZOEQVCRDNZMIKZ-HKWLGGFDSA-N
MW442.73 g/mol
LogP10.07
Rot. Bonds17

About (6E,10E,14E)-18-hydroperoxy-2,6,10,15,23-pentamethyl-19-methylidenetetracosa-2,6,10,14,22-pentaene

(6E,10E,14E)-18-hydroperoxy-2,6,10,15,23-pentamethyl-19-methylidenetetracosa-2,6,10,14,22-pentaene (PubChem CID 52929831) has the molecular formula C30H50O2 and a molecular weight of 442.73 g/mol. Its IUPAC name is (6E,10E,14E)-18-hydroperoxy-2,6,10,15,23-pentamethyl-19-methylidenetetracosa-2,6,10,14,22-pentaene.

Molecular Properties

Compound Name(6E,10E,14E)-18-hydroperoxy-2,6,10,15,23-pentamethyl-19-methylidenetetracosa-2,6,10,14,22-pentaene
PubChem CID52929831
Molecular FormulaC30H50O2
Molecular Weight442.73 g/mol
Exact Mass442.38
IUPAC Name(6E,10E,14E)-18-hydroperoxy-2,6,10,15,23-pentamethyl-19-methylidenetetracosa-2,6,10,14,22-pentaene
SMILESC=C(CCC=C(C)C)C(CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)OO
InChIInChI=1S/C30H50O2/c1-24(2)14-11-18-27(6)20-13-19-26(5)16-9-10-17-28(7)22-23-30(32-31)29(8)21-12-15-25(3)4/h14-17,20,30-31H,8-13,18-19,21-23H2,1-7H3/b26-16+,27-20+,28-17+
InChIKeyZOEQVCRDNZMIKZ-HKWLGGFDSA-N
XLogP10.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
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

2-(dimethoxymethyl)-6,10-dimethylundeca-1,5,9-triene
CID 54386558
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,10E,14E)-2,6,10,15,18-pentamethylnonadeca-2,6,10,14-tetraene
CID 58369783
(5E,9E)-2,6,10,14-tetramethylpentadeca-1,5,9,13-tetraene
CID 11758910
6-hydroperoxy-3,7-dimethylocta-2,7-dien-1-ol
CID 76711660
(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
7,11-dimethyl-3-methylidenedodeca-1,6,10-triene
CID 158652324
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859

Frequently Asked Questions

What is the IUPAC name of (6E,10E,14E)-18-hydroperoxy-2,6,10,15,23-pentamethyl-19-methylidenetetracosa-2,6,10,14,22-pentaene?
The IUPAC name of (6E,10E,14E)-18-hydroperoxy-2,6,10,15,23-pentamethyl-19-methylidenetetracosa-2,6,10,14,22-pentaene (CID 52929831) is (6E,10E,14E)-18-hydroperoxy-2,6,10,15,23-pentamethyl-19-methylidenetetracosa-2,6,10,14,22-pentaene.
What is the SMILES notation for (6E,10E,14E)-18-hydroperoxy-2,6,10,15,23-pentamethyl-19-methylidenetetracosa-2,6,10,14,22-pentaene?
The canonical SMILES for (6E,10E,14E)-18-hydroperoxy-2,6,10,15,23-pentamethyl-19-methylidenetetracosa-2,6,10,14,22-pentaene is C=C(CCC=C(C)C)C(CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC=C(C)C)OO.
What is the InChIKey of (6E,10E,14E)-18-hydroperoxy-2,6,10,15,23-pentamethyl-19-methylidenetetracosa-2,6,10,14,22-pentaene?
The InChIKey is ZOEQVCRDNZMIKZ-HKWLGGFDSA-N. The full InChI is InChI=1S/C30H50O2/c1-24(2)14-11-18-27(6)20-13-19-26(5)16-9-10-17-28(7)22-23-30(32-31)29(8)21-12-15-25(3)4/h14-17,20,30-31H,8-13,18-19,21-23H2,1-7H3/b26-16+,27-20+,28-17+.
What are the key properties of (6E,10E,14E)-18-hydroperoxy-2,6,10,15,23-pentamethyl-19-methylidenetetracosa-2,6,10,14,22-pentaene?
(6E,10E,14E)-18-hydroperoxy-2,6,10,15,23-pentamethyl-19-methylidenetetracosa-2,6,10,14,22-pentaene has a molecular weight of 442.73 g/mol, XLogP of 10.07, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,10E,14E)-18-hydroperoxy-2,6,10,15,23-pentamethyl-19-methylidenetetracosa-2,6,10,14,22-pentaene is sourced from PubChem (CID 52929831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).