(5Z)-10-methyl-6-(trifluoromethyl)undeca-5,9-dien-2-one

C13H19F3O — CID 10083348

IUPAC(5Z)-10-methyl-6-(trifluoromethyl)undeca-5,9-dien-2-one
SMILESCC(=O)CC/C=C(/CCC=C(C)C)C(F)(F)F
InChIInChI=1S/C13H19F3O/c1-10(2)6-4-8-12(13(14,15)16)9-5-7-11(3)17/h6,9H,4-5,7-8H2,1-3H3/b12-9-
InChIKeySAHLNIAGBLZWHE-XFXZXTDPSA-N
MW248.29 g/mol
LogP4.59
Rot. Bonds6

About (5Z)-10-methyl-6-(trifluoromethyl)undeca-5,9-dien-2-one

(5Z)-10-methyl-6-(trifluoromethyl)undeca-5,9-dien-2-one (PubChem CID 10083348) has the molecular formula C13H19F3O and a molecular weight of 248.29 g/mol. Its IUPAC name is (5Z)-10-methyl-6-(trifluoromethyl)undeca-5,9-dien-2-one.

Molecular Properties

Compound Name(5Z)-10-methyl-6-(trifluoromethyl)undeca-5,9-dien-2-one
PubChem CID10083348
Molecular FormulaC13H19F3O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name(5Z)-10-methyl-6-(trifluoromethyl)undeca-5,9-dien-2-one
SMILESCC(=O)CC/C=C(/CCC=C(C)C)C(F)(F)F
InChIInChI=1S/C13H19F3O/c1-10(2)6-4-8-12(13(14,15)16)9-5-7-11(3)17/h6,9H,4-5,7-8H2,1-3H3/b12-9-
InChIKeySAHLNIAGBLZWHE-XFXZXTDPSA-N
XLogP4.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (5Z)-10-methyl-6-(trifluoromethyl)undeca-5,9-dien-2-one?
The IUPAC name of (5Z)-10-methyl-6-(trifluoromethyl)undeca-5,9-dien-2-one (CID 10083348) is (5Z)-10-methyl-6-(trifluoromethyl)undeca-5,9-dien-2-one.
What is the SMILES notation for (5Z)-10-methyl-6-(trifluoromethyl)undeca-5,9-dien-2-one?
The canonical SMILES for (5Z)-10-methyl-6-(trifluoromethyl)undeca-5,9-dien-2-one is CC(=O)CC/C=C(/CCC=C(C)C)C(F)(F)F.
What is the InChIKey of (5Z)-10-methyl-6-(trifluoromethyl)undeca-5,9-dien-2-one?
The InChIKey is SAHLNIAGBLZWHE-XFXZXTDPSA-N. The full InChI is InChI=1S/C13H19F3O/c1-10(2)6-4-8-12(13(14,15)16)9-5-7-11(3)17/h6,9H,4-5,7-8H2,1-3H3/b12-9-.
What are the key properties of (5Z)-10-methyl-6-(trifluoromethyl)undeca-5,9-dien-2-one?
(5Z)-10-methyl-6-(trifluoromethyl)undeca-5,9-dien-2-one has a molecular weight of 248.29 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-10-methyl-6-(trifluoromethyl)undeca-5,9-dien-2-one is sourced from PubChem (CID 10083348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).