(1E,3E)-1-[bis[(1E,3E)-octa-1,3-dienoxy]methoxy]octa-1,3-diene

C25H40O3 — CID 87835398

IUPAC(1E,3E)-1-[bis[(1E,3E)-octa-1,3-dienoxy]methoxy]octa-1,3-diene
SMILESCCCC/C=C/C=C/OC(O/C=C/C=C/CCCC)O/C=C/C=C/CCCC
InChIInChI=1S/C25H40O3/c1-4-7-10-13-16-19-22-26-25(27-23-20-17-14-11-8-5-2)28-24-21-18-15-12-9-6-3/h13-25H,4-12H2,1-3H3/b16-13+,17-14+,18-15+,22-19+,23-20+,24-21+
InChIKeyQSPGBCOFJJMZRD-OEFTXHNJSA-N
MW388.59 g/mol
LogP8.10
Rot. Bonds18

About (1E,3E)-1-[bis[(1E,3E)-octa-1,3-dienoxy]methoxy]octa-1,3-diene

(1E,3E)-1-[bis[(1E,3E)-octa-1,3-dienoxy]methoxy]octa-1,3-diene (PubChem CID 87835398) has the molecular formula C25H40O3 and a molecular weight of 388.59 g/mol. Its IUPAC name is (1E,3E)-1-[bis[(1E,3E)-octa-1,3-dienoxy]methoxy]octa-1,3-diene.

Molecular Properties

Compound Name(1E,3E)-1-[bis[(1E,3E)-octa-1,3-dienoxy]methoxy]octa-1,3-diene
PubChem CID87835398
Molecular FormulaC25H40O3
Molecular Weight388.59 g/mol
Exact Mass388.30
IUPAC Name(1E,3E)-1-[bis[(1E,3E)-octa-1,3-dienoxy]methoxy]octa-1,3-diene
SMILESCCCC/C=C/C=C/OC(O/C=C/C=C/CCCC)O/C=C/C=C/CCCC
InChIInChI=1S/C25H40O3/c1-4-7-10-13-16-19-22-26-25(27-23-20-17-14-11-8-5-2)28-24-21-18-15-12-9-6-3/h13-25H,4-12H2,1-3H3/b16-13+,17-14+,18-15+,22-19+,23-20+,24-21+
InChIKeyQSPGBCOFJJMZRD-OEFTXHNJSA-N
XLogP8.10
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.59
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1E,3E)-1-[bis[(1E,3E)-octa-1,3-dienoxy]methoxy]octa-1,3-diene with MolForge

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Related Compounds

Dioctadienylether
CID 54395412
(1Z,3E)-1-(1-ethoxyethoxy)octa-1,3-diene
CID 15606224
(1E,3E)-1-(1-ethoxyethoxy)octa-1,3-diene
CID 101426704
(1E,3Z)-1-(1-ethoxyethoxy)octa-1,3-diene
CID 134995256
(1E,3E)-1-(methoxymethoxy)-5-methylhexa-1,3-diene
CID 134995353
(1E,3E)-1-[(1E,3E)-octa-1,3-dienoxy]octa-1,3-diene
CID 19002281
bis[(1E,3E)-octadeca-1,3-dienyl] carbonate
CID 19420126
(1E,3E,5E)-1-butoxydodeca-1,3,5-triene;1,1-dibutoxybutane
CID 22116819
1,1-Bis(hex-1-enoxy)hex-3-ene
CID 57173591
Bis(octadeca-1,3-dienyl) carbonate
CID 73607440
1-Butoxydodeca-1,3,5-triene;1,1-dibutoxybutane
CID 73865943
(3E)-1,1-diethoxynona-1,3-diene
CID 87320300

Frequently Asked Questions

What is the IUPAC name of (1E,3E)-1-[bis[(1E,3E)-octa-1,3-dienoxy]methoxy]octa-1,3-diene?
The IUPAC name of (1E,3E)-1-[bis[(1E,3E)-octa-1,3-dienoxy]methoxy]octa-1,3-diene (CID 87835398) is (1E,3E)-1-[bis[(1E,3E)-octa-1,3-dienoxy]methoxy]octa-1,3-diene.
What is the SMILES notation for (1E,3E)-1-[bis[(1E,3E)-octa-1,3-dienoxy]methoxy]octa-1,3-diene?
The canonical SMILES for (1E,3E)-1-[bis[(1E,3E)-octa-1,3-dienoxy]methoxy]octa-1,3-diene is CCCC/C=C/C=C/OC(O/C=C/C=C/CCCC)O/C=C/C=C/CCCC.
What is the InChIKey of (1E,3E)-1-[bis[(1E,3E)-octa-1,3-dienoxy]methoxy]octa-1,3-diene?
The InChIKey is QSPGBCOFJJMZRD-OEFTXHNJSA-N. The full InChI is InChI=1S/C25H40O3/c1-4-7-10-13-16-19-22-26-25(27-23-20-17-14-11-8-5-2)28-24-21-18-15-12-9-6-3/h13-25H,4-12H2,1-3H3/b16-13+,17-14+,18-15+,22-19+,23-20+,24-21+.
What are the key properties of (1E,3E)-1-[bis[(1E,3E)-octa-1,3-dienoxy]methoxy]octa-1,3-diene?
(1E,3E)-1-[bis[(1E,3E)-octa-1,3-dienoxy]methoxy]octa-1,3-diene has a molecular weight of 388.59 g/mol, XLogP of 8.10, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-1-[bis[(1E,3E)-octa-1,3-dienoxy]methoxy]octa-1,3-diene is sourced from PubChem (CID 87835398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).