2,6,10-trimethyl-13-(4,8,12-trimethyltrideca-3,7,11-trienoxy)trideca-2,6,10-triene

C32H54O — CID 174355768

IUPAC2,6,10-trimethyl-13-(4,8,12-trimethyltrideca-3,7,11-trienoxy)trideca-2,6,10-triene
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCOCCC=C(C)CCC=C(C)CCC=C(C)C
InChIInChI=1S/C32H54O/c1-27(2)15-9-17-29(5)19-11-21-31(7)23-13-25-33-26-14-24-32(8)22-12-20-30(6)18-10-16-28(3)4/h15-16,19-20,23-24H,9-14,17-18,21-22,25-26H2,1-8H3
InChIKeyTUNFFRBINYBRJJ-UHFFFAOYSA-N
MW454.78 g/mol
LogP10.62
Rot. Bonds18

About 2,6,10-trimethyl-13-(4,8,12-trimethyltrideca-3,7,11-trienoxy)trideca-2,6,10-triene

2,6,10-trimethyl-13-(4,8,12-trimethyltrideca-3,7,11-trienoxy)trideca-2,6,10-triene (PubChem CID 174355768) has the molecular formula C32H54O and a molecular weight of 454.78 g/mol. Its IUPAC name is 2,6,10-trimethyl-13-(4,8,12-trimethyltrideca-3,7,11-trienoxy)trideca-2,6,10-triene.

Molecular Properties

Compound Name2,6,10-trimethyl-13-(4,8,12-trimethyltrideca-3,7,11-trienoxy)trideca-2,6,10-triene
PubChem CID174355768
Molecular FormulaC32H54O
Molecular Weight454.78 g/mol
Exact Mass454.42
IUPAC Name2,6,10-trimethyl-13-(4,8,12-trimethyltrideca-3,7,11-trienoxy)trideca-2,6,10-triene
SMILESCC(C)=CCCC(C)=CCCC(C)=CCCOCCC=C(C)CCC=C(C)CCC=C(C)C
InChIInChI=1S/C32H54O/c1-27(2)15-9-17-29(5)19-11-21-31(7)23-13-25-33-26-14-24-32(8)22-12-20-30(6)18-10-16-28(3)4/h15-16,19-20,23-24H,9-14,17-18,21-22,25-26H2,1-8H3
InChIKeyTUNFFRBINYBRJJ-UHFFFAOYSA-N
XLogP10.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.78
LogP ≤ 510.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,6,10-trimethyl-13-(4,8,12-trimethyltrideca-3,7,11-trienoxy)trideca-2,6,10-triene with MolForge

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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
3-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenoxy)propane-1,2-diol
CID 118913633
(2R,3S)-4-(4,8,12,16-tetramethylheptadeca-3,7,11,15-tetraenoxy)butane-1,2,3-triol
CID 141426027
(2E,10E)-1-iodo-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraene
CID 175339928
(6E,10E,15E)-2,6,10,16,20-pentamethylhenicosa-2,6,10,15,19-pentaene
CID 58662859
3,7,11-trimethyldodeca-2,6,10-trienoxymethanol
CID 173478394
carbon dioxide;(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 174737986
(6E,10E,14E,18E)-2,6,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaene
CID 91751137
(2E,6Z)-1-chloro-3,7,11-trimethyldodeca-2,6,10-triene
CID 10752589

Frequently Asked Questions

What is the IUPAC name of 2,6,10-trimethyl-13-(4,8,12-trimethyltrideca-3,7,11-trienoxy)trideca-2,6,10-triene?
The IUPAC name of 2,6,10-trimethyl-13-(4,8,12-trimethyltrideca-3,7,11-trienoxy)trideca-2,6,10-triene (CID 174355768) is 2,6,10-trimethyl-13-(4,8,12-trimethyltrideca-3,7,11-trienoxy)trideca-2,6,10-triene.
What is the SMILES notation for 2,6,10-trimethyl-13-(4,8,12-trimethyltrideca-3,7,11-trienoxy)trideca-2,6,10-triene?
The canonical SMILES for 2,6,10-trimethyl-13-(4,8,12-trimethyltrideca-3,7,11-trienoxy)trideca-2,6,10-triene is CC(C)=CCCC(C)=CCCC(C)=CCCOCCC=C(C)CCC=C(C)CCC=C(C)C.
What is the InChIKey of 2,6,10-trimethyl-13-(4,8,12-trimethyltrideca-3,7,11-trienoxy)trideca-2,6,10-triene?
The InChIKey is TUNFFRBINYBRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H54O/c1-27(2)15-9-17-29(5)19-11-21-31(7)23-13-25-33-26-14-24-32(8)22-12-20-30(6)18-10-16-28(3)4/h15-16,19-20,23-24H,9-14,17-18,21-22,25-26H2,1-8H3.
What are the key properties of 2,6,10-trimethyl-13-(4,8,12-trimethyltrideca-3,7,11-trienoxy)trideca-2,6,10-triene?
2,6,10-trimethyl-13-(4,8,12-trimethyltrideca-3,7,11-trienoxy)trideca-2,6,10-triene has a molecular weight of 454.78 g/mol, XLogP of 10.62, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,10-trimethyl-13-(4,8,12-trimethyltrideca-3,7,11-trienoxy)trideca-2,6,10-triene is sourced from PubChem (CID 174355768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).