(5E,8Z)-5-methyl-10-(trifluoromethoxy)deca-5,8-dien-2-one

C12H17F3O2 — CID 142172534

IUPAC(5E,8Z)-5-methyl-10-(trifluoromethoxy)deca-5,8-dien-2-one
SMILESCC(=O)CC/C(C)=C/C/C=C\COC(F)(F)F
InChIInChI=1S/C12H17F3O2/c1-10(7-8-11(2)16)6-4-3-5-9-17-12(13,14)15/h3,5-6H,4,7-9H2,1-2H3/b5-3-,10-6+
InChIKeyFXEWNOKLVGOGFR-UTMABKKZSA-N
MW250.26 g/mol
LogP3.78
Rot. Bonds7

About (5E,8Z)-5-methyl-10-(trifluoromethoxy)deca-5,8-dien-2-one

(5E,8Z)-5-methyl-10-(trifluoromethoxy)deca-5,8-dien-2-one (PubChem CID 142172534) has the molecular formula C12H17F3O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is (5E,8Z)-5-methyl-10-(trifluoromethoxy)deca-5,8-dien-2-one.

Molecular Properties

Compound Name(5E,8Z)-5-methyl-10-(trifluoromethoxy)deca-5,8-dien-2-one
PubChem CID142172534
Molecular FormulaC12H17F3O2
Molecular Weight250.26 g/mol
Exact Mass250.12
IUPAC Name(5E,8Z)-5-methyl-10-(trifluoromethoxy)deca-5,8-dien-2-one
SMILESCC(=O)CC/C(C)=C/C/C=C\COC(F)(F)F
InChIInChI=1S/C12H17F3O2/c1-10(7-8-11(2)16)6-4-3-5-9-17-12(13,14)15/h3,5-6H,4,7-9H2,1-2H3/b5-3-,10-6+
InChIKeyFXEWNOKLVGOGFR-UTMABKKZSA-N
XLogP3.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E,8Z)-5-methyl-10-(trifluoromethoxy)deca-5,8-dien-2-one?
The IUPAC name of (5E,8Z)-5-methyl-10-(trifluoromethoxy)deca-5,8-dien-2-one (CID 142172534) is (5E,8Z)-5-methyl-10-(trifluoromethoxy)deca-5,8-dien-2-one.
What is the SMILES notation for (5E,8Z)-5-methyl-10-(trifluoromethoxy)deca-5,8-dien-2-one?
The canonical SMILES for (5E,8Z)-5-methyl-10-(trifluoromethoxy)deca-5,8-dien-2-one is CC(=O)CC/C(C)=C/C/C=C\COC(F)(F)F.
What is the InChIKey of (5E,8Z)-5-methyl-10-(trifluoromethoxy)deca-5,8-dien-2-one?
The InChIKey is FXEWNOKLVGOGFR-UTMABKKZSA-N. The full InChI is InChI=1S/C12H17F3O2/c1-10(7-8-11(2)16)6-4-3-5-9-17-12(13,14)15/h3,5-6H,4,7-9H2,1-2H3/b5-3-,10-6+.
What are the key properties of (5E,8Z)-5-methyl-10-(trifluoromethoxy)deca-5,8-dien-2-one?
(5E,8Z)-5-methyl-10-(trifluoromethoxy)deca-5,8-dien-2-one has a molecular weight of 250.26 g/mol, XLogP of 3.78, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,8Z)-5-methyl-10-(trifluoromethoxy)deca-5,8-dien-2-one is sourced from PubChem (CID 142172534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).