(6E)-8-methoxy-2,6-dimethyldocosa-2,6-diene

C25H48O — CID 176571098

IUPAC(6E)-8-methoxy-2,6-dimethyldocosa-2,6-diene
SMILESCCCCCCCCCCCCCCC(/C=C(\C)CCC=C(C)C)OC
InChIInChI=1S/C25H48O/c1-6-7-8-9-10-11-12-13-14-15-16-17-21-25(26-5)22-24(4)20-18-19-23(2)3/h19,22,25H,6-18,20-21H2,1-5H3/b24-22+
InChIKeyPZGXHNSIWHODEL-ZNTNEXAZSA-N
MW364.66 g/mol
LogP8.79
Rot. Bonds18

About (6E)-8-methoxy-2,6-dimethyldocosa-2,6-diene

(6E)-8-methoxy-2,6-dimethyldocosa-2,6-diene (PubChem CID 176571098) has the molecular formula C25H48O and a molecular weight of 364.66 g/mol. Its IUPAC name is (6E)-8-methoxy-2,6-dimethyldocosa-2,6-diene.

Molecular Properties

Compound Name(6E)-8-methoxy-2,6-dimethyldocosa-2,6-diene
PubChem CID176571098
Molecular FormulaC25H48O
Molecular Weight364.66 g/mol
Exact Mass364.37
IUPAC Name(6E)-8-methoxy-2,6-dimethyldocosa-2,6-diene
SMILESCCCCCCCCCCCCCCC(/C=C(\C)CCC=C(C)C)OC
InChIInChI=1S/C25H48O/c1-6-7-8-9-10-11-12-13-14-15-16-17-21-25(26-5)22-24(4)20-18-19-23(2)3/h19,22,25H,6-18,20-21H2,1-5H3/b24-22+
InChIKeyPZGXHNSIWHODEL-ZNTNEXAZSA-N
XLogP8.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.66
LogP ≤ 58.79
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'}

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Related Compounds

5-methoxy-3-methylnon-3-en-1-ol
CID 91036217
3-[[3-[(6E)-2,6-dimethyldocosa-2,6-dien-8-yl]oxy-3-oxopropyl]disulfanyl]propanoic acid
CID 177068347
[(6E,10E)-2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yl] tridecanoate
CID 174419764
(2E)-1-[1-[(2E)-3,7-dimethylocta-2,6-dienoxy]nonoxy]-3,7-dimethylocta-2,6-diene
CID 6437124
[9-(2,6-dimethylhepta-1,5-dienyl)-2,6-dimethyl-25-oxo-25-(2,6,11,15-tetramethylhexadeca-2,6,10,14-tetraen-8-yloxy)pentacosa-2,6-dien-10-yl] 17-(2,6-dimethylhepta-1,5-dienyl)-16-hexadecanoyloxy-20,24-dimethylpentacosa-19,23-dienoate
CID 57276463
(2E)-1,1-dimethoxy-3,7-dimethylocta-2,6-diene
CID 5352435
2,6-dimethyltetradeca-2,6-diene
CID 57189781
(8E)-9,13-dimethyltetradeca-8,12-dien-6-ol
CID 15717608
(7R,8S)-2-methyloctadec-2-ene-7,8-diol
CID 13420628
(6E,10E)-2,6,10-trimethylnonacosa-2,6,10-trien-14-one
CID 11442518
(2E)-3,7-dimethylocta-2,6-dien-1-ol;1-hexoxyhexane
CID 174942074
heptanoic acid;2,6,10,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaene
CID 174641388

Frequently Asked Questions

What is the IUPAC name of (6E)-8-methoxy-2,6-dimethyldocosa-2,6-diene?
The IUPAC name of (6E)-8-methoxy-2,6-dimethyldocosa-2,6-diene (CID 176571098) is (6E)-8-methoxy-2,6-dimethyldocosa-2,6-diene.
What is the SMILES notation for (6E)-8-methoxy-2,6-dimethyldocosa-2,6-diene?
The canonical SMILES for (6E)-8-methoxy-2,6-dimethyldocosa-2,6-diene is CCCCCCCCCCCCCCC(/C=C(\C)CCC=C(C)C)OC.
What is the InChIKey of (6E)-8-methoxy-2,6-dimethyldocosa-2,6-diene?
The InChIKey is PZGXHNSIWHODEL-ZNTNEXAZSA-N. The full InChI is InChI=1S/C25H48O/c1-6-7-8-9-10-11-12-13-14-15-16-17-21-25(26-5)22-24(4)20-18-19-23(2)3/h19,22,25H,6-18,20-21H2,1-5H3/b24-22+.
What are the key properties of (6E)-8-methoxy-2,6-dimethyldocosa-2,6-diene?
(6E)-8-methoxy-2,6-dimethyldocosa-2,6-diene has a molecular weight of 364.66 g/mol, XLogP of 8.79, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-8-methoxy-2,6-dimethyldocosa-2,6-diene is sourced from PubChem (CID 176571098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).