(2E,4Z)-3,8-dimethyl-6-methylidene-2-(trifluoromethoxy)nona-2,4-diene

C13H19F3O — CID 143344039

IUPAC(2E,4Z)-3,8-dimethyl-6-methylidene-2-(trifluoromethoxy)nona-2,4-diene
SMILESC=C(/C=C\C(C)=C(/C)OC(F)(F)F)CC(C)C
InChIInChI=1S/C13H19F3O/c1-9(2)8-10(3)6-7-11(4)12(5)17-13(14,15)16/h6-7,9H,3,8H2,1-2,4-5H3/b7-6-,12-11+
InChIKeyVOFSRZCSIBDLNP-BIXBEFAMSA-N
MW248.29 g/mol
LogP4.98
Rot. Bonds5

About (2E,4Z)-3,8-dimethyl-6-methylidene-2-(trifluoromethoxy)nona-2,4-diene

(2E,4Z)-3,8-dimethyl-6-methylidene-2-(trifluoromethoxy)nona-2,4-diene (PubChem CID 143344039) has the molecular formula C13H19F3O and a molecular weight of 248.29 g/mol. Its IUPAC name is (2E,4Z)-3,8-dimethyl-6-methylidene-2-(trifluoromethoxy)nona-2,4-diene.

Molecular Properties

Compound Name(2E,4Z)-3,8-dimethyl-6-methylidene-2-(trifluoromethoxy)nona-2,4-diene
PubChem CID143344039
Molecular FormulaC13H19F3O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name(2E,4Z)-3,8-dimethyl-6-methylidene-2-(trifluoromethoxy)nona-2,4-diene
SMILESC=C(/C=C\C(C)=C(/C)OC(F)(F)F)CC(C)C
InChIInChI=1S/C13H19F3O/c1-9(2)8-10(3)6-7-11(4)12(5)17-13(14,15)16/h6-7,9H,3,8H2,1-2,4-5H3/b7-6-,12-11+
InChIKeyVOFSRZCSIBDLNP-BIXBEFAMSA-N
XLogP4.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (2E,4Z)-3,8-dimethyl-6-methylidene-2-(trifluoromethoxy)nona-2,4-diene?
The IUPAC name of (2E,4Z)-3,8-dimethyl-6-methylidene-2-(trifluoromethoxy)nona-2,4-diene (CID 143344039) is (2E,4Z)-3,8-dimethyl-6-methylidene-2-(trifluoromethoxy)nona-2,4-diene.
What is the SMILES notation for (2E,4Z)-3,8-dimethyl-6-methylidene-2-(trifluoromethoxy)nona-2,4-diene?
The canonical SMILES for (2E,4Z)-3,8-dimethyl-6-methylidene-2-(trifluoromethoxy)nona-2,4-diene is C=C(/C=C\C(C)=C(/C)OC(F)(F)F)CC(C)C.
What is the InChIKey of (2E,4Z)-3,8-dimethyl-6-methylidene-2-(trifluoromethoxy)nona-2,4-diene?
The InChIKey is VOFSRZCSIBDLNP-BIXBEFAMSA-N. The full InChI is InChI=1S/C13H19F3O/c1-9(2)8-10(3)6-7-11(4)12(5)17-13(14,15)16/h6-7,9H,3,8H2,1-2,4-5H3/b7-6-,12-11+.
What are the key properties of (2E,4Z)-3,8-dimethyl-6-methylidene-2-(trifluoromethoxy)nona-2,4-diene?
(2E,4Z)-3,8-dimethyl-6-methylidene-2-(trifluoromethoxy)nona-2,4-diene has a molecular weight of 248.29 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-3,8-dimethyl-6-methylidene-2-(trifluoromethoxy)nona-2,4-diene is sourced from PubChem (CID 143344039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).