(3Z,5E,8E,10E)-6,8-bis(ethenyl)-3,7,7-trimethyl-11-[(3E)-penta-1,3-dien-3-yl]oxytrideca-1,3,5,8,10,12-hexaene

C25H32O — CID 166927220

IUPAC(3Z,5E,8E,10E)-6,8-bis(ethenyl)-3,7,7-trimethyl-11-[(3E)-penta-1,3-dien-3-yl]oxytrideca-1,3,5,8,10,12-hexaene
SMILESC=C/C(C)=C\C=C(/C=C)C(C)(C)/C(C=C)=C/C=C(\C=C)O/C(C=C)=C/C
InChIInChI=1S/C25H32O/c1-10-20(7)16-17-21(11-2)25(8,9)22(12-3)18-19-24(15-6)26-23(13-4)14-5/h10-19H,1-4,6H2,5,7-9H3/b20-16-,21-17+,22-18+,23-14+,24-19+
InChIKeyZVOVVVMCYSVSLX-NYMIBBCGSA-N
MW348.53 g/mol
LogP7.55
Rot. Bonds11

About (3Z,5E,8E,10E)-6,8-bis(ethenyl)-3,7,7-trimethyl-11-[(3E)-penta-1,3-dien-3-yl]oxytrideca-1,3,5,8,10,12-hexaene

(3Z,5E,8E,10E)-6,8-bis(ethenyl)-3,7,7-trimethyl-11-[(3E)-penta-1,3-dien-3-yl]oxytrideca-1,3,5,8,10,12-hexaene (PubChem CID 166927220) has the molecular formula C25H32O and a molecular weight of 348.53 g/mol. Its IUPAC name is (3Z,5E,8E,10E)-6,8-bis(ethenyl)-3,7,7-trimethyl-11-[(3E)-penta-1,3-dien-3-yl]oxytrideca-1,3,5,8,10,12-hexaene.

Molecular Properties

Compound Name(3Z,5E,8E,10E)-6,8-bis(ethenyl)-3,7,7-trimethyl-11-[(3E)-penta-1,3-dien-3-yl]oxytrideca-1,3,5,8,10,12-hexaene
PubChem CID166927220
Molecular FormulaC25H32O
Molecular Weight348.53 g/mol
Exact Mass348.25
IUPAC Name(3Z,5E,8E,10E)-6,8-bis(ethenyl)-3,7,7-trimethyl-11-[(3E)-penta-1,3-dien-3-yl]oxytrideca-1,3,5,8,10,12-hexaene
SMILESC=C/C(C)=C\C=C(/C=C)C(C)(C)/C(C=C)=C/C=C(\C=C)O/C(C=C)=C/C
InChIInChI=1S/C25H32O/c1-10-20(7)16-17-21(11-2)25(8,9)22(12-3)18-19-24(15-6)26-23(13-4)14-5/h10-19H,1-4,6H2,5,7-9H3/b20-16-,21-17+,22-18+,23-14+,24-19+
InChIKeyZVOVVVMCYSVSLX-NYMIBBCGSA-N
XLogP7.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.53
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z,5E,8E,10E)-6,8-bis(ethenyl)-3,7,7-trimethyl-11-[(3E)-penta-1,3-dien-3-yl]oxytrideca-1,3,5,8,10,12-hexaene with MolForge

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Related Compounds

[(3E,5E,8E,10E)-6,8-bis(ethenyl)-7,7-dimethyl-11-[(2-methylpropan-2-yl)oxy]trideca-1,3,5,8,10,12-hexaen-3-yl] 2,2-dimethylpropanoate
CID 138474615
1-methyl-4-[(3E,5Z)-6-methylocta-1,3,5,7-tetraen-3-yl]oxybenzene
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3-(5,5-dimethylhexa-1,3-dien-3-yloxy)-5,5-dimethylhexa-1,3-diene
CID 91222189
[(3E,5E)-6-acetyloxyocta-1,3,5,7-tetraen-3-yl] acetate
CID 145204463
(3E)-3-methylhexa-1,3,5-triene
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(3E,5E)-7,7-difluoro-3,6-dimethylhepta-1,3,5-triene
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(3Z)-3,6-dimethylhepta-1,3,5-triene;ethane;2-methylprop-1-ene
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N-[(2Z,5E)-5-ethenyl-4,4-dimethylocta-2,5,7-trien-3-yl]methanimine
CID 155337310
(2Z,4Z)-1,1,1-trifluoro-5-methylhepta-2,4,6-trien-2-amine
CID 88558934
(3E,5E)-6-iodo-3-(trifluoromethyl)hepta-1,3,5-triene
CID 162565488
3,7-dimethylnona-1,3,5,7-tetraene
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Frequently Asked Questions

What is the IUPAC name of (3Z,5E,8E,10E)-6,8-bis(ethenyl)-3,7,7-trimethyl-11-[(3E)-penta-1,3-dien-3-yl]oxytrideca-1,3,5,8,10,12-hexaene?
The IUPAC name of (3Z,5E,8E,10E)-6,8-bis(ethenyl)-3,7,7-trimethyl-11-[(3E)-penta-1,3-dien-3-yl]oxytrideca-1,3,5,8,10,12-hexaene (CID 166927220) is (3Z,5E,8E,10E)-6,8-bis(ethenyl)-3,7,7-trimethyl-11-[(3E)-penta-1,3-dien-3-yl]oxytrideca-1,3,5,8,10,12-hexaene.
What is the SMILES notation for (3Z,5E,8E,10E)-6,8-bis(ethenyl)-3,7,7-trimethyl-11-[(3E)-penta-1,3-dien-3-yl]oxytrideca-1,3,5,8,10,12-hexaene?
The canonical SMILES for (3Z,5E,8E,10E)-6,8-bis(ethenyl)-3,7,7-trimethyl-11-[(3E)-penta-1,3-dien-3-yl]oxytrideca-1,3,5,8,10,12-hexaene is C=C/C(C)=C\C=C(/C=C)C(C)(C)/C(C=C)=C/C=C(\C=C)O/C(C=C)=C/C.
What is the InChIKey of (3Z,5E,8E,10E)-6,8-bis(ethenyl)-3,7,7-trimethyl-11-[(3E)-penta-1,3-dien-3-yl]oxytrideca-1,3,5,8,10,12-hexaene?
The InChIKey is ZVOVVVMCYSVSLX-NYMIBBCGSA-N. The full InChI is InChI=1S/C25H32O/c1-10-20(7)16-17-21(11-2)25(8,9)22(12-3)18-19-24(15-6)26-23(13-4)14-5/h10-19H,1-4,6H2,5,7-9H3/b20-16-,21-17+,22-18+,23-14+,24-19+.
What are the key properties of (3Z,5E,8E,10E)-6,8-bis(ethenyl)-3,7,7-trimethyl-11-[(3E)-penta-1,3-dien-3-yl]oxytrideca-1,3,5,8,10,12-hexaene?
(3Z,5E,8E,10E)-6,8-bis(ethenyl)-3,7,7-trimethyl-11-[(3E)-penta-1,3-dien-3-yl]oxytrideca-1,3,5,8,10,12-hexaene has a molecular weight of 348.53 g/mol, XLogP of 7.55, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E,8E,10E)-6,8-bis(ethenyl)-3,7,7-trimethyl-11-[(3E)-penta-1,3-dien-3-yl]oxytrideca-1,3,5,8,10,12-hexaene is sourced from PubChem (CID 166927220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).