(3Z,5Z)-5-methyl-7-(trifluoromethoxy)hepta-1,3,5-triene

C9H11F3O — CID 142987715

IUPAC(3Z,5Z)-5-methyl-7-(trifluoromethoxy)hepta-1,3,5-triene
SMILESC=C/C=C\C(C)=C/COC(F)(F)F
InChIInChI=1S/C9H11F3O/c1-3-4-5-8(2)6-7-13-9(10,11)12/h3-6H,1,7H2,2H3/b5-4-,8-6-
InChIKeyVOPXVNAXEIOTAI-NADLECRISA-N
MW192.18 g/mol
LogP3.21
Rot. Bonds4

About (3Z,5Z)-5-methyl-7-(trifluoromethoxy)hepta-1,3,5-triene

(3Z,5Z)-5-methyl-7-(trifluoromethoxy)hepta-1,3,5-triene (PubChem CID 142987715) has the molecular formula C9H11F3O and a molecular weight of 192.18 g/mol. Its IUPAC name is (3Z,5Z)-5-methyl-7-(trifluoromethoxy)hepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5Z)-5-methyl-7-(trifluoromethoxy)hepta-1,3,5-triene
PubChem CID142987715
Molecular FormulaC9H11F3O
Molecular Weight192.18 g/mol
Exact Mass192.08
IUPAC Name(3Z,5Z)-5-methyl-7-(trifluoromethoxy)hepta-1,3,5-triene
SMILESC=C/C=C\C(C)=C/COC(F)(F)F
InChIInChI=1S/C9H11F3O/c1-3-4-5-8(2)6-7-13-9(10,11)12/h3-6H,1,7H2,2H3/b5-4-,8-6-
InChIKeyVOPXVNAXEIOTAI-NADLECRISA-N
XLogP3.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethane;(3Z,5Z)-8,8,8-trifluoro-5-methylocta-1,3,5-triene
CID 142204097
5-methylocta-1,3,5-triene
CID 123706098
(3Z,5Z)-5-methylhepta-1,3,5-triene;propane
CID 142516353
(1Z,3Z)-N,2-dimethylhexa-1,3,5-trien-1-amine
CID 126689878
[difluoro-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]oxymethyl]phosphane
CID 142531243
(1Z,3Z)-N-ethyl-2-methylhexa-1,3,5-trien-1-amine
CID 126710731
6-methyl-5-methylidenehepta-1,3,6-triene
CID 54100301
2-(trifluoromethoxymethyl)buta-1,3-diene
CID 59097403
(3Z,5Z)-2-fluoro-2,5-dimethylocta-3,5-diene
CID 138465029
ethane;(3Z,5Z,7Z)-5-methylnona-1,3,5,7-tetraene
CID 143014542
(3Z)-5-ethyl-6-methylhepta-1,3,5-triene
CID 143033929
(3Z)-7-methyl-5-methylideneocta-1,3,7-triene
CID 142221683

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-5-methyl-7-(trifluoromethoxy)hepta-1,3,5-triene?
The IUPAC name of (3Z,5Z)-5-methyl-7-(trifluoromethoxy)hepta-1,3,5-triene (CID 142987715) is (3Z,5Z)-5-methyl-7-(trifluoromethoxy)hepta-1,3,5-triene.
What is the SMILES notation for (3Z,5Z)-5-methyl-7-(trifluoromethoxy)hepta-1,3,5-triene?
The canonical SMILES for (3Z,5Z)-5-methyl-7-(trifluoromethoxy)hepta-1,3,5-triene is C=C/C=C\C(C)=C/COC(F)(F)F.
What is the InChIKey of (3Z,5Z)-5-methyl-7-(trifluoromethoxy)hepta-1,3,5-triene?
The InChIKey is VOPXVNAXEIOTAI-NADLECRISA-N. The full InChI is InChI=1S/C9H11F3O/c1-3-4-5-8(2)6-7-13-9(10,11)12/h3-6H,1,7H2,2H3/b5-4-,8-6-.
What are the key properties of (3Z,5Z)-5-methyl-7-(trifluoromethoxy)hepta-1,3,5-triene?
(3Z,5Z)-5-methyl-7-(trifluoromethoxy)hepta-1,3,5-triene has a molecular weight of 192.18 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-5-methyl-7-(trifluoromethoxy)hepta-1,3,5-triene is sourced from PubChem (CID 142987715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).