(3Z)-3-ethylidene-6-(1,1,1-trifluoro-2-methylhex-5-en-2-yl)oxyhex-1-ene

C15H23F3O — CID 167079827

IUPAC(3Z)-3-ethylidene-6-(1,1,1-trifluoro-2-methylhex-5-en-2-yl)oxyhex-1-ene
SMILESC=CCCC(C)(OCCC/C(C=C)=C/C)C(F)(F)F
InChIInChI=1S/C15H23F3O/c1-5-8-11-14(4,15(16,17)18)19-12-9-10-13(6-2)7-3/h5-7H,1-2,8-12H2,3-4H3/b13-7+
InChIKeyMLWOTELMDDLERD-NTUHNPAUSA-N
MW276.34 g/mol
LogP5.20
Rot. Bonds9

About (3Z)-3-ethylidene-6-(1,1,1-trifluoro-2-methylhex-5-en-2-yl)oxyhex-1-ene

(3Z)-3-ethylidene-6-(1,1,1-trifluoro-2-methylhex-5-en-2-yl)oxyhex-1-ene (PubChem CID 167079827) has the molecular formula C15H23F3O and a molecular weight of 276.34 g/mol. Its IUPAC name is (3Z)-3-ethylidene-6-(1,1,1-trifluoro-2-methylhex-5-en-2-yl)oxyhex-1-ene.

Molecular Properties

Compound Name(3Z)-3-ethylidene-6-(1,1,1-trifluoro-2-methylhex-5-en-2-yl)oxyhex-1-ene
PubChem CID167079827
Molecular FormulaC15H23F3O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name(3Z)-3-ethylidene-6-(1,1,1-trifluoro-2-methylhex-5-en-2-yl)oxyhex-1-ene
SMILESC=CCCC(C)(OCCC/C(C=C)=C/C)C(F)(F)F
InChIInChI=1S/C15H23F3O/c1-5-8-11-14(4,15(16,17)18)19-12-9-10-13(6-2)7-3/h5-7H,1-2,8-12H2,3-4H3/b13-7+
InChIKeyMLWOTELMDDLERD-NTUHNPAUSA-N
XLogP5.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.34
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z)-3-ethylidene-6-(1,1,1-trifluoro-2-methylhex-5-en-2-yl)oxyhex-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethylidene-6-(1,1,1-trifluoro-2-methylhex-5-en-2-yl)oxyhex-1-ene?
The IUPAC name of (3Z)-3-ethylidene-6-(1,1,1-trifluoro-2-methylhex-5-en-2-yl)oxyhex-1-ene (CID 167079827) is (3Z)-3-ethylidene-6-(1,1,1-trifluoro-2-methylhex-5-en-2-yl)oxyhex-1-ene.
What is the SMILES notation for (3Z)-3-ethylidene-6-(1,1,1-trifluoro-2-methylhex-5-en-2-yl)oxyhex-1-ene?
The canonical SMILES for (3Z)-3-ethylidene-6-(1,1,1-trifluoro-2-methylhex-5-en-2-yl)oxyhex-1-ene is C=CCCC(C)(OCCC/C(C=C)=C/C)C(F)(F)F.
What is the InChIKey of (3Z)-3-ethylidene-6-(1,1,1-trifluoro-2-methylhex-5-en-2-yl)oxyhex-1-ene?
The InChIKey is MLWOTELMDDLERD-NTUHNPAUSA-N. The full InChI is InChI=1S/C15H23F3O/c1-5-8-11-14(4,15(16,17)18)19-12-9-10-13(6-2)7-3/h5-7H,1-2,8-12H2,3-4H3/b13-7+.
What are the key properties of (3Z)-3-ethylidene-6-(1,1,1-trifluoro-2-methylhex-5-en-2-yl)oxyhex-1-ene?
(3Z)-3-ethylidene-6-(1,1,1-trifluoro-2-methylhex-5-en-2-yl)oxyhex-1-ene has a molecular weight of 276.34 g/mol, XLogP of 5.20, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidene-6-(1,1,1-trifluoro-2-methylhex-5-en-2-yl)oxyhex-1-ene is sourced from PubChem (CID 167079827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).