(3E,5E,7E,9E)-3,10-dimethoxy-6,7-dimethyldodeca-1,3,5,7,9,11-hexaene

C16H22O2 — CID 155039162

IUPAC(3E,5E,7E,9E)-3,10-dimethoxy-6,7-dimethyldodeca-1,3,5,7,9,11-hexaene
SMILESC=C/C(=C\C=C(C)\C(C)=C\C=C(/C=C)OC)OC
InChIInChI=1S/C16H22O2/c1-7-15(17-5)11-9-13(3)14(4)10-12-16(8-2)18-6/h7-12H,1-2H2,3-6H3/b13-9+,14-10+,15-11+,16-12+
InChIKeyAFLWWKQGCOTBLO-KUWVSJDVSA-N
MW246.35 g/mol
LogP4.31
Rot. Bonds7

About (3E,5E,7E,9E)-3,10-dimethoxy-6,7-dimethyldodeca-1,3,5,7,9,11-hexaene

(3E,5E,7E,9E)-3,10-dimethoxy-6,7-dimethyldodeca-1,3,5,7,9,11-hexaene (PubChem CID 155039162) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is (3E,5E,7E,9E)-3,10-dimethoxy-6,7-dimethyldodeca-1,3,5,7,9,11-hexaene.

Molecular Properties

Compound Name(3E,5E,7E,9E)-3,10-dimethoxy-6,7-dimethyldodeca-1,3,5,7,9,11-hexaene
PubChem CID155039162
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name(3E,5E,7E,9E)-3,10-dimethoxy-6,7-dimethyldodeca-1,3,5,7,9,11-hexaene
SMILESC=C/C(=C\C=C(C)\C(C)=C\C=C(/C=C)OC)OC
InChIInChI=1S/C16H22O2/c1-7-15(17-5)11-9-13(3)14(4)10-12-16(8-2)18-6/h7-12H,1-2H2,3-6H3/b13-9+,14-10+,15-11+,16-12+
InChIKeyAFLWWKQGCOTBLO-KUWVSJDVSA-N
XLogP4.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 54.31
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'}

Analyze (3E,5E,7E,9E)-3,10-dimethoxy-6,7-dimethyldodeca-1,3,5,7,9,11-hexaene with MolForge

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Related Compounds

(3E,5E,7E,9E)-6,7-bis(ethenyl)-10-methoxydodeca-1,3,5,7,9,11-hexaen-3-ol
CID 126727419
methyl (2E,4E)-2,5-dimethylhepta-2,4,6-trienoate
CID 87948961
4-methoxyhexa-3,5-dien-2-one
CID 71435103
N-[(1Z)-2-methoxybuta-1,3-dienyl]acetamide
CID 178170806
(1E)-2-methoxy-1-methylsulfanylbuta-1,3-diene
CID 178133797
[(3E,5E)-6-acetyloxyocta-1,3,5,7-tetraen-3-yl] acetate
CID 145204463
4-[(2E,4E)-5-methoxyhepta-2,4,6-trien-2-yl]sulfanylbutanoic acid
CID 143619036
[(2E,4E)-5-methoxyhepta-2,4,6-trien-2-yl] bis(4-methoxyphenyl) phosphite
CID 138718891
(2E,4E)-5-methoxy-2-methyl-1-(N-phenylanilino)hepta-2,4,6-trien-1-ol
CID 143692858
(2E,4E)-5-methoxy-N-prop-2-enylhepta-2,4,6-trien-1-amine
CID 142550046
(3E)-4-methoxy-6-methylhepta-1,3,5-triene
CID 88949274
ethane;(3E)-4-methoxyhexa-1,3,5-trien-2-amine
CID 170974286

Frequently Asked Questions

What is the IUPAC name of (3E,5E,7E,9E)-3,10-dimethoxy-6,7-dimethyldodeca-1,3,5,7,9,11-hexaene?
The IUPAC name of (3E,5E,7E,9E)-3,10-dimethoxy-6,7-dimethyldodeca-1,3,5,7,9,11-hexaene (CID 155039162) is (3E,5E,7E,9E)-3,10-dimethoxy-6,7-dimethyldodeca-1,3,5,7,9,11-hexaene.
What is the SMILES notation for (3E,5E,7E,9E)-3,10-dimethoxy-6,7-dimethyldodeca-1,3,5,7,9,11-hexaene?
The canonical SMILES for (3E,5E,7E,9E)-3,10-dimethoxy-6,7-dimethyldodeca-1,3,5,7,9,11-hexaene is C=C/C(=C\C=C(C)\C(C)=C\C=C(/C=C)OC)OC.
What is the InChIKey of (3E,5E,7E,9E)-3,10-dimethoxy-6,7-dimethyldodeca-1,3,5,7,9,11-hexaene?
The InChIKey is AFLWWKQGCOTBLO-KUWVSJDVSA-N. The full InChI is InChI=1S/C16H22O2/c1-7-15(17-5)11-9-13(3)14(4)10-12-16(8-2)18-6/h7-12H,1-2H2,3-6H3/b13-9+,14-10+,15-11+,16-12+.
What are the key properties of (3E,5E,7E,9E)-3,10-dimethoxy-6,7-dimethyldodeca-1,3,5,7,9,11-hexaene?
(3E,5E,7E,9E)-3,10-dimethoxy-6,7-dimethyldodeca-1,3,5,7,9,11-hexaene has a molecular weight of 246.35 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E,7E,9E)-3,10-dimethoxy-6,7-dimethyldodeca-1,3,5,7,9,11-hexaene is sourced from PubChem (CID 155039162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).