(7Z)-5-methyl-6-methylidene-9-(trifluoromethoxy)deca-7,9-dien-2-one

C13H17F3O2 — CID 142284492

IUPAC(7Z)-5-methyl-6-methylidene-9-(trifluoromethoxy)deca-7,9-dien-2-one
SMILESC=C(/C=C\C(=C)C(C)CCC(C)=O)OC(F)(F)F
InChIInChI=1S/C13H17F3O2/c1-9(5-7-11(3)17)10(2)6-8-12(4)18-13(14,15)16/h6,8-9H,2,4-5,7H2,1,3H3/b8-6-
InChIKeyFBZLDTOWLXMZLW-VURMDHGXSA-N
MW262.27 g/mol
LogP4.15
Rot. Bonds7

About (7Z)-5-methyl-6-methylidene-9-(trifluoromethoxy)deca-7,9-dien-2-one

(7Z)-5-methyl-6-methylidene-9-(trifluoromethoxy)deca-7,9-dien-2-one (PubChem CID 142284492) has the molecular formula C13H17F3O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is (7Z)-5-methyl-6-methylidene-9-(trifluoromethoxy)deca-7,9-dien-2-one.

Molecular Properties

Compound Name(7Z)-5-methyl-6-methylidene-9-(trifluoromethoxy)deca-7,9-dien-2-one
PubChem CID142284492
Molecular FormulaC13H17F3O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Name(7Z)-5-methyl-6-methylidene-9-(trifluoromethoxy)deca-7,9-dien-2-one
SMILESC=C(/C=C\C(=C)C(C)CCC(C)=O)OC(F)(F)F
InChIInChI=1S/C13H17F3O2/c1-9(5-7-11(3)17)10(2)6-8-12(4)18-13(14,15)16/h6,8-9H,2,4-5,7H2,1,3H3/b8-6-
InChIKeyFBZLDTOWLXMZLW-VURMDHGXSA-N
XLogP4.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 54.15
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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Frequently Asked Questions

What is the IUPAC name of (7Z)-5-methyl-6-methylidene-9-(trifluoromethoxy)deca-7,9-dien-2-one?
The IUPAC name of (7Z)-5-methyl-6-methylidene-9-(trifluoromethoxy)deca-7,9-dien-2-one (CID 142284492) is (7Z)-5-methyl-6-methylidene-9-(trifluoromethoxy)deca-7,9-dien-2-one.
What is the SMILES notation for (7Z)-5-methyl-6-methylidene-9-(trifluoromethoxy)deca-7,9-dien-2-one?
The canonical SMILES for (7Z)-5-methyl-6-methylidene-9-(trifluoromethoxy)deca-7,9-dien-2-one is C=C(/C=C\C(=C)C(C)CCC(C)=O)OC(F)(F)F.
What is the InChIKey of (7Z)-5-methyl-6-methylidene-9-(trifluoromethoxy)deca-7,9-dien-2-one?
The InChIKey is FBZLDTOWLXMZLW-VURMDHGXSA-N. The full InChI is InChI=1S/C13H17F3O2/c1-9(5-7-11(3)17)10(2)6-8-12(4)18-13(14,15)16/h6,8-9H,2,4-5,7H2,1,3H3/b8-6-.
What are the key properties of (7Z)-5-methyl-6-methylidene-9-(trifluoromethoxy)deca-7,9-dien-2-one?
(7Z)-5-methyl-6-methylidene-9-(trifluoromethoxy)deca-7,9-dien-2-one has a molecular weight of 262.27 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-5-methyl-6-methylidene-9-(trifluoromethoxy)deca-7,9-dien-2-one is sourced from PubChem (CID 142284492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).