2,5,6,10-tetramethyl-9-methylidene-13-(trifluoromethoxy)tetradecane

C20H37F3O — CID 177321425

IUPAC2,5,6,10-tetramethyl-9-methylidene-13-(trifluoromethoxy)tetradecane
SMILESC=C(CCC(C)C(C)CCC(C)C)C(C)CCC(C)OC(F)(F)F
InChIInChI=1S/C20H37F3O/c1-14(2)8-9-15(3)16(4)10-11-17(5)18(6)12-13-19(7)24-20(21,22)23/h14-16,18-19H,5,8-13H2,1-4,6-7H3
InChIKeySAAJORNYAKXSNG-UHFFFAOYSA-N
MW350.51 g/mol
LogP7.37
Rot. Bonds12

About 2,5,6,10-tetramethyl-9-methylidene-13-(trifluoromethoxy)tetradecane

2,5,6,10-tetramethyl-9-methylidene-13-(trifluoromethoxy)tetradecane (PubChem CID 177321425) has the molecular formula C20H37F3O and a molecular weight of 350.51 g/mol. Its IUPAC name is 2,5,6,10-tetramethyl-9-methylidene-13-(trifluoromethoxy)tetradecane.

Molecular Properties

Compound Name2,5,6,10-tetramethyl-9-methylidene-13-(trifluoromethoxy)tetradecane
PubChem CID177321425
Molecular FormulaC20H37F3O
Molecular Weight350.51 g/mol
Exact Mass350.28
IUPAC Name2,5,6,10-tetramethyl-9-methylidene-13-(trifluoromethoxy)tetradecane
SMILESC=C(CCC(C)C(C)CCC(C)C)C(C)CCC(C)OC(F)(F)F
InChIInChI=1S/C20H37F3O/c1-14(2)8-9-15(3)16(4)10-11-17(5)18(6)12-13-19(7)24-20(21,22)23/h14-16,18-19H,5,8-13H2,1-4,6-7H3
InChIKeySAAJORNYAKXSNG-UHFFFAOYSA-N
XLogP7.37
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.51
LogP ≤ 57.37
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 2,5,6,10-tetramethyl-9-methylidene-13-(trifluoromethoxy)tetradecane?
The IUPAC name of 2,5,6,10-tetramethyl-9-methylidene-13-(trifluoromethoxy)tetradecane (CID 177321425) is 2,5,6,10-tetramethyl-9-methylidene-13-(trifluoromethoxy)tetradecane.
What is the SMILES notation for 2,5,6,10-tetramethyl-9-methylidene-13-(trifluoromethoxy)tetradecane?
The canonical SMILES for 2,5,6,10-tetramethyl-9-methylidene-13-(trifluoromethoxy)tetradecane is C=C(CCC(C)C(C)CCC(C)C)C(C)CCC(C)OC(F)(F)F.
What is the InChIKey of 2,5,6,10-tetramethyl-9-methylidene-13-(trifluoromethoxy)tetradecane?
The InChIKey is SAAJORNYAKXSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37F3O/c1-14(2)8-9-15(3)16(4)10-11-17(5)18(6)12-13-19(7)24-20(21,22)23/h14-16,18-19H,5,8-13H2,1-4,6-7H3.
What are the key properties of 2,5,6,10-tetramethyl-9-methylidene-13-(trifluoromethoxy)tetradecane?
2,5,6,10-tetramethyl-9-methylidene-13-(trifluoromethoxy)tetradecane has a molecular weight of 350.51 g/mol, XLogP of 7.37, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6,10-tetramethyl-9-methylidene-13-(trifluoromethoxy)tetradecane is sourced from PubChem (CID 177321425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).