(3E,5E,7E,9E)-6,7-bis(ethenyl)-10-methoxydodeca-1,3,5,7,9,11-hexaen-3-ol

C17H20O2 — CID 126727419

IUPAC(3E,5E,7E,9E)-6,7-bis(ethenyl)-10-methoxydodeca-1,3,5,7,9,11-hexaen-3-ol
SMILESC=C/C(O)=C\C=C(C=C)\C(C=C)=C\C=C(/C=C)OC
InChIInChI=1S/C17H20O2/c1-6-14(10-12-16(18)8-3)15(7-2)11-13-17(9-4)19-5/h6-13,18H,1-4H2,5H3/b14-10+,15-11+,16-12+,17-13+
InChIKeyGQIAXEAFYVPREA-MKELXVRNSA-N
MW256.34 g/mol
LogP4.56
Rot. Bonds8

About (3E,5E,7E,9E)-6,7-bis(ethenyl)-10-methoxydodeca-1,3,5,7,9,11-hexaen-3-ol

(3E,5E,7E,9E)-6,7-bis(ethenyl)-10-methoxydodeca-1,3,5,7,9,11-hexaen-3-ol (PubChem CID 126727419) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is (3E,5E,7E,9E)-6,7-bis(ethenyl)-10-methoxydodeca-1,3,5,7,9,11-hexaen-3-ol.

Molecular Properties

Compound Name(3E,5E,7E,9E)-6,7-bis(ethenyl)-10-methoxydodeca-1,3,5,7,9,11-hexaen-3-ol
PubChem CID126727419
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name(3E,5E,7E,9E)-6,7-bis(ethenyl)-10-methoxydodeca-1,3,5,7,9,11-hexaen-3-ol
SMILESC=C/C(O)=C\C=C(C=C)\C(C=C)=C\C=C(/C=C)OC
InChIInChI=1S/C17H20O2/c1-6-14(10-12-16(18)8-3)15(7-2)11-13-17(9-4)19-5/h6-13,18H,1-4H2,5H3/b14-10+,15-11+,16-12+,17-13+
InChIKeyGQIAXEAFYVPREA-MKELXVRNSA-N
XLogP4.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 54.56
H-Bond Donors ≤ 51
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

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4-methoxyhexa-3,5-dien-2-one
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ethane;(3E)-4-methoxyhexa-1,3,5-trien-2-amine
CID 170974286
N-[4-[4-[N,4-bis(4-methoxyphenyl)anilino]phenyl]phenyl]-4-[4-[4-[4-[N-(5-methoxyhepta-2,4,6-trien-2-yl)-4-(4-methoxyphenyl)anilino]phenyl]-N-(4-methoxyphenyl)anilino]phenyl]-N-(4-methoxyphenyl)aniline
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Frequently Asked Questions

What is the IUPAC name of (3E,5E,7E,9E)-6,7-bis(ethenyl)-10-methoxydodeca-1,3,5,7,9,11-hexaen-3-ol?
The IUPAC name of (3E,5E,7E,9E)-6,7-bis(ethenyl)-10-methoxydodeca-1,3,5,7,9,11-hexaen-3-ol (CID 126727419) is (3E,5E,7E,9E)-6,7-bis(ethenyl)-10-methoxydodeca-1,3,5,7,9,11-hexaen-3-ol.
What is the SMILES notation for (3E,5E,7E,9E)-6,7-bis(ethenyl)-10-methoxydodeca-1,3,5,7,9,11-hexaen-3-ol?
The canonical SMILES for (3E,5E,7E,9E)-6,7-bis(ethenyl)-10-methoxydodeca-1,3,5,7,9,11-hexaen-3-ol is C=C/C(O)=C\C=C(C=C)\C(C=C)=C\C=C(/C=C)OC.
What is the InChIKey of (3E,5E,7E,9E)-6,7-bis(ethenyl)-10-methoxydodeca-1,3,5,7,9,11-hexaen-3-ol?
The InChIKey is GQIAXEAFYVPREA-MKELXVRNSA-N. The full InChI is InChI=1S/C17H20O2/c1-6-14(10-12-16(18)8-3)15(7-2)11-13-17(9-4)19-5/h6-13,18H,1-4H2,5H3/b14-10+,15-11+,16-12+,17-13+.
What are the key properties of (3E,5E,7E,9E)-6,7-bis(ethenyl)-10-methoxydodeca-1,3,5,7,9,11-hexaen-3-ol?
(3E,5E,7E,9E)-6,7-bis(ethenyl)-10-methoxydodeca-1,3,5,7,9,11-hexaen-3-ol has a molecular weight of 256.34 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,7E,9E)-6,7-bis(ethenyl)-10-methoxydodeca-1,3,5,7,9,11-hexaen-3-ol is sourced from PubChem (CID 126727419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).