(3Z,5Z,7E,9Z)-2,8-dimethoxydodeca-1,3,5,7,9,11-hexaene

C14H18O2 — CID 89066005

IUPAC(3Z,5Z,7E,9Z)-2,8-dimethoxydodeca-1,3,5,7,9,11-hexaene
SMILESC=C/C=C\C(=C/C=C\C=C/C(=C)OC)OC
InChIInChI=1S/C14H18O2/c1-5-6-11-14(16-4)12-9-7-8-10-13(2)15-3/h5-12H,1-2H2,3-4H3/b9-7-,10-8-,11-6-,14-12+
InChIKeyUTKGZFFVHLKTKS-GVULUDIUSA-N
MW218.30 g/mol
LogP3.53
Rot. Bonds7

About (3Z,5Z,7E,9Z)-2,8-dimethoxydodeca-1,3,5,7,9,11-hexaene

(3Z,5Z,7E,9Z)-2,8-dimethoxydodeca-1,3,5,7,9,11-hexaene (PubChem CID 89066005) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is (3Z,5Z,7E,9Z)-2,8-dimethoxydodeca-1,3,5,7,9,11-hexaene.

Molecular Properties

Compound Name(3Z,5Z,7E,9Z)-2,8-dimethoxydodeca-1,3,5,7,9,11-hexaene
PubChem CID89066005
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Name(3Z,5Z,7E,9Z)-2,8-dimethoxydodeca-1,3,5,7,9,11-hexaene
SMILESC=C/C=C\C(=C/C=C\C=C/C(=C)OC)OC
InChIInChI=1S/C14H18O2/c1-5-6-11-14(16-4)12-9-7-8-10-13(2)15-3/h5-12H,1-2H2,3-4H3/b9-7-,10-8-,11-6-,14-12+
InChIKeyUTKGZFFVHLKTKS-GVULUDIUSA-N
XLogP3.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3E,5Z)-2-chloro-4-methoxyocta-1,3,5,7-tetraene
CID 89328698
(3E,5Z)-4-tert-butyl-2-methoxyocta-1,3,5,7-tetraene
CID 130337292
(3Z,5E)-5-methoxydeca-1,3,5-triene
CID 145391525
6-methoxyhepta-1,3,5-triene
CID 90882924
(1Z,3E)-3-methoxyhexa-1,3,5-triene-1-thiol
CID 145478099
ethane;(3Z,5Z)-2-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxy-5-methylhepta-1,3,5-triene
CID 143933755
methyl (4Z)-3-methylidenehepta-4,6-dienoate
CID 143290496
(3Z,5Z)-5,6-dimethoxyhepta-1,3,5-triene
CID 89381368
2-methoxy-N-methylethanamine;(3Z)-2-methylhexa-1,3,5-triene
CID 144959851
ethane;(3Z)-2-methoxy-5-methylhexa-1,3,5-triene
CID 144626557
(3E,5Z)-4-[(2E,4Z)-hepta-2,4,6-trien-3-yl]oxyhepta-1,3,5-triene
CID 143508019
(3Z)-2-butoxyhexa-1,3,5-triene
CID 142368588

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z,7E,9Z)-2,8-dimethoxydodeca-1,3,5,7,9,11-hexaene?
The IUPAC name of (3Z,5Z,7E,9Z)-2,8-dimethoxydodeca-1,3,5,7,9,11-hexaene (CID 89066005) is (3Z,5Z,7E,9Z)-2,8-dimethoxydodeca-1,3,5,7,9,11-hexaene.
What is the SMILES notation for (3Z,5Z,7E,9Z)-2,8-dimethoxydodeca-1,3,5,7,9,11-hexaene?
The canonical SMILES for (3Z,5Z,7E,9Z)-2,8-dimethoxydodeca-1,3,5,7,9,11-hexaene is C=C/C=C\C(=C/C=C\C=C/C(=C)OC)OC.
What is the InChIKey of (3Z,5Z,7E,9Z)-2,8-dimethoxydodeca-1,3,5,7,9,11-hexaene?
The InChIKey is UTKGZFFVHLKTKS-GVULUDIUSA-N. The full InChI is InChI=1S/C14H18O2/c1-5-6-11-14(16-4)12-9-7-8-10-13(2)15-3/h5-12H,1-2H2,3-4H3/b9-7-,10-8-,11-6-,14-12+.
What are the key properties of (3Z,5Z,7E,9Z)-2,8-dimethoxydodeca-1,3,5,7,9,11-hexaene?
(3Z,5Z,7E,9Z)-2,8-dimethoxydodeca-1,3,5,7,9,11-hexaene has a molecular weight of 218.30 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z,7E,9Z)-2,8-dimethoxydodeca-1,3,5,7,9,11-hexaene is sourced from PubChem (CID 89066005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).