(3Z)-6,9,10,13-tetramethyl-5-methylidene-2-(trifluoromethoxy)tetradeca-1,3-diene

C20H33F3O — CID 144590433

IUPAC(3Z)-6,9,10,13-tetramethyl-5-methylidene-2-(trifluoromethoxy)tetradeca-1,3-diene
SMILESC=C(/C=C\C(=C)C(C)CCC(C)C(C)CCC(C)C)OC(F)(F)F
InChIInChI=1S/C20H33F3O/c1-14(2)8-9-15(3)16(4)10-11-17(5)18(6)12-13-19(7)24-20(21,22)23/h12-17H,6-11H2,1-5H3/b13-12-
InChIKeyGGBNBTYKSGZMCX-SEYXRHQNSA-N
MW346.48 g/mol
LogP7.27
Rot. Bonds11

About (3Z)-6,9,10,13-tetramethyl-5-methylidene-2-(trifluoromethoxy)tetradeca-1,3-diene

(3Z)-6,9,10,13-tetramethyl-5-methylidene-2-(trifluoromethoxy)tetradeca-1,3-diene (PubChem CID 144590433) has the molecular formula C20H33F3O and a molecular weight of 346.48 g/mol. Its IUPAC name is (3Z)-6,9,10,13-tetramethyl-5-methylidene-2-(trifluoromethoxy)tetradeca-1,3-diene.

Molecular Properties

Compound Name(3Z)-6,9,10,13-tetramethyl-5-methylidene-2-(trifluoromethoxy)tetradeca-1,3-diene
PubChem CID144590433
Molecular FormulaC20H33F3O
Molecular Weight346.48 g/mol
Exact Mass346.25
IUPAC Name(3Z)-6,9,10,13-tetramethyl-5-methylidene-2-(trifluoromethoxy)tetradeca-1,3-diene
SMILESC=C(/C=C\C(=C)C(C)CCC(C)C(C)CCC(C)C)OC(F)(F)F
InChIInChI=1S/C20H33F3O/c1-14(2)8-9-15(3)16(4)10-11-17(5)18(6)12-13-19(7)24-20(21,22)23/h12-17H,6-11H2,1-5H3/b13-12-
InChIKeyGGBNBTYKSGZMCX-SEYXRHQNSA-N
XLogP7.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.48
LogP ≤ 57.27
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'}

Analyze (3Z)-6,9,10,13-tetramethyl-5-methylidene-2-(trifluoromethoxy)tetradeca-1,3-diene 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)-6,9,10,13-tetramethyl-5-methylidene-2-(trifluoromethoxy)tetradeca-1,3-diene?
The IUPAC name of (3Z)-6,9,10,13-tetramethyl-5-methylidene-2-(trifluoromethoxy)tetradeca-1,3-diene (CID 144590433) is (3Z)-6,9,10,13-tetramethyl-5-methylidene-2-(trifluoromethoxy)tetradeca-1,3-diene.
What is the SMILES notation for (3Z)-6,9,10,13-tetramethyl-5-methylidene-2-(trifluoromethoxy)tetradeca-1,3-diene?
The canonical SMILES for (3Z)-6,9,10,13-tetramethyl-5-methylidene-2-(trifluoromethoxy)tetradeca-1,3-diene is C=C(/C=C\C(=C)C(C)CCC(C)C(C)CCC(C)C)OC(F)(F)F.
What is the InChIKey of (3Z)-6,9,10,13-tetramethyl-5-methylidene-2-(trifluoromethoxy)tetradeca-1,3-diene?
The InChIKey is GGBNBTYKSGZMCX-SEYXRHQNSA-N. The full InChI is InChI=1S/C20H33F3O/c1-14(2)8-9-15(3)16(4)10-11-17(5)18(6)12-13-19(7)24-20(21,22)23/h12-17H,6-11H2,1-5H3/b13-12-.
What are the key properties of (3Z)-6,9,10,13-tetramethyl-5-methylidene-2-(trifluoromethoxy)tetradeca-1,3-diene?
(3Z)-6,9,10,13-tetramethyl-5-methylidene-2-(trifluoromethoxy)tetradeca-1,3-diene has a molecular weight of 346.48 g/mol, XLogP of 7.27, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-6,9,10,13-tetramethyl-5-methylidene-2-(trifluoromethoxy)tetradeca-1,3-diene is sourced from PubChem (CID 144590433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).