7,11,15-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)hexadecane

C23H42F6O2 — CID 135266789

IUPAC7,11,15-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)hexadecane
SMILESCC(C)CCCC(C)CCCC(C)CCCCC(C)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C23H42F6O2/c1-18(2)10-8-12-20(4)14-9-13-19(3)11-6-7-15-21(5,30-16-22(24,25)26)31-17-23(27,28)29/h18-20H,6-17H2,1-5H3
InChIKeyGKSUMCTUDFKNPT-UHFFFAOYSA-N
MW464.58 g/mol
LogP8.69
Rot. Bonds17

About 7,11,15-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)hexadecane

7,11,15-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)hexadecane (PubChem CID 135266789) has the molecular formula C23H42F6O2 and a molecular weight of 464.58 g/mol. Its IUPAC name is 7,11,15-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)hexadecane.

Molecular Properties

Compound Name7,11,15-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)hexadecane
PubChem CID135266789
Molecular FormulaC23H42F6O2
Molecular Weight464.58 g/mol
Exact Mass464.31
IUPAC Name7,11,15-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)hexadecane
SMILESCC(C)CCCC(C)CCCC(C)CCCCC(C)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C23H42F6O2/c1-18(2)10-8-12-20(4)14-9-13-19(3)11-6-7-15-21(5,30-16-22(24,25)26)31-17-23(27,28)29/h18-20H,6-17H2,1-5H3
InChIKeyGKSUMCTUDFKNPT-UHFFFAOYSA-N
XLogP8.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.58
LogP ≤ 58.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7,11,15-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)hexadecane?
The IUPAC name of 7,11,15-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)hexadecane (CID 135266789) is 7,11,15-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)hexadecane.
What is the SMILES notation for 7,11,15-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)hexadecane?
The canonical SMILES for 7,11,15-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)hexadecane is CC(C)CCCC(C)CCCC(C)CCCCC(C)(OCC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of 7,11,15-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)hexadecane?
The InChIKey is GKSUMCTUDFKNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42F6O2/c1-18(2)10-8-12-20(4)14-9-13-19(3)11-6-7-15-21(5,30-16-22(24,25)26)31-17-23(27,28)29/h18-20H,6-17H2,1-5H3.
What are the key properties of 7,11,15-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)hexadecane?
7,11,15-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)hexadecane has a molecular weight of 464.58 g/mol, XLogP of 8.69, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,11,15-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)hexadecane is sourced from PubChem (CID 135266789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).