methyl (2Z,6E,8E)-2-methoxy-6-methyl-8-(trifluoromethyl)deca-2,6,8-trienoate

C14H19F3O3 — CID 162557653

IUPACmethyl (2Z,6E,8E)-2-methoxy-6-methyl-8-(trifluoromethyl)deca-2,6,8-trienoate
SMILESC/C=C(\C=C(/C)CC/C=C(\OC)C(=O)OC)C(F)(F)F
InChIInChI=1S/C14H19F3O3/c1-5-11(14(15,16)17)9-10(2)7-6-8-12(19-3)13(18)20-4/h5,8-9H,6-7H2,1-4H3/b10-9+,11-5+,12-8-
InChIKeyGUZJYQBXHVIHQG-YHNWRRKISA-N
MW292.30 g/mol
LogP3.92
Rot. Bonds6

About methyl (2Z,6E,8E)-2-methoxy-6-methyl-8-(trifluoromethyl)deca-2,6,8-trienoate

methyl (2Z,6E,8E)-2-methoxy-6-methyl-8-(trifluoromethyl)deca-2,6,8-trienoate (PubChem CID 162557653) has the molecular formula C14H19F3O3 and a molecular weight of 292.30 g/mol. Its IUPAC name is methyl (2Z,6E,8E)-2-methoxy-6-methyl-8-(trifluoromethyl)deca-2,6,8-trienoate.

Molecular Properties

Compound Namemethyl (2Z,6E,8E)-2-methoxy-6-methyl-8-(trifluoromethyl)deca-2,6,8-trienoate
PubChem CID162557653
Molecular FormulaC14H19F3O3
Molecular Weight292.30 g/mol
Exact Mass292.13
IUPAC Namemethyl (2Z,6E,8E)-2-methoxy-6-methyl-8-(trifluoromethyl)deca-2,6,8-trienoate
SMILESC/C=C(\C=C(/C)CC/C=C(\OC)C(=O)OC)C(F)(F)F
InChIInChI=1S/C14H19F3O3/c1-5-11(14(15,16)17)9-10(2)7-6-8-12(19-3)13(18)20-4/h5,8-9H,6-7H2,1-4H3/b10-9+,11-5+,12-8-
InChIKeyGUZJYQBXHVIHQG-YHNWRRKISA-N
XLogP3.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze methyl (2Z,6E,8E)-2-methoxy-6-methyl-8-(trifluoromethyl)deca-2,6,8-trienoate with MolForge

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Related Compounds

dimethyl (Z)-2-methoxy-7-oxooct-2-enedioate
CID 11993938
methyl (Z)-2-methyl-6-oxohept-2-enoate
CID 11480688
dimethyl (2E,6Z)-2-[tert-butyl(dimethyl)silyl]oxy-7-methoxyocta-2,6-dienedioate
CID 11993936
methyl (2E,6E)-3,7-dimethyl-8-oxoocta-2,6-dienoate
CID 24976790
methyl 8-bromo-2,6-dimethylocta-2,6-dienoate
CID 76842372
dimethyl (Z)-2-methoxypent-2-enedioate
CID 5364212
1,1,1-trifluoro-6,10-dimethylundeca-5,9-dien-2-one
CID 72726260
methyl 7,11-diethyl-3-methyltrideca-2,6,10-trienoate
CID 71369949
10-methoxy-3,7-dimethyl-10-oxodeca-2,6-dienoic acid
CID 162814763
dimethyl 2-[(2Z,6Z,10Z,14Z,18Z,22Z,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22,26,30,34-nonaenylidene]propanedioate
CID 11308667
methyl (2E,6E)-8-acetyloxy-2,6-dimethylocta-2,6-dienoate
CID 6536858
(5E,9E,13E,17E)-1,1,1-trifluoro-5,9,14,18,22-pentamethyltricosa-5,9,13,17,21-pentaen-2-one
CID 10813531

Frequently Asked Questions

What is the IUPAC name of methyl (2Z,6E,8E)-2-methoxy-6-methyl-8-(trifluoromethyl)deca-2,6,8-trienoate?
The IUPAC name of methyl (2Z,6E,8E)-2-methoxy-6-methyl-8-(trifluoromethyl)deca-2,6,8-trienoate (CID 162557653) is methyl (2Z,6E,8E)-2-methoxy-6-methyl-8-(trifluoromethyl)deca-2,6,8-trienoate.
What is the SMILES notation for methyl (2Z,6E,8E)-2-methoxy-6-methyl-8-(trifluoromethyl)deca-2,6,8-trienoate?
The canonical SMILES for methyl (2Z,6E,8E)-2-methoxy-6-methyl-8-(trifluoromethyl)deca-2,6,8-trienoate is C/C=C(\C=C(/C)CC/C=C(\OC)C(=O)OC)C(F)(F)F.
What is the InChIKey of methyl (2Z,6E,8E)-2-methoxy-6-methyl-8-(trifluoromethyl)deca-2,6,8-trienoate?
The InChIKey is GUZJYQBXHVIHQG-YHNWRRKISA-N. The full InChI is InChI=1S/C14H19F3O3/c1-5-11(14(15,16)17)9-10(2)7-6-8-12(19-3)13(18)20-4/h5,8-9H,6-7H2,1-4H3/b10-9+,11-5+,12-8-.
What are the key properties of methyl (2Z,6E,8E)-2-methoxy-6-methyl-8-(trifluoromethyl)deca-2,6,8-trienoate?
methyl (2Z,6E,8E)-2-methoxy-6-methyl-8-(trifluoromethyl)deca-2,6,8-trienoate has a molecular weight of 292.30 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z,6E,8E)-2-methoxy-6-methyl-8-(trifluoromethyl)deca-2,6,8-trienoate is sourced from PubChem (CID 162557653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).