6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadecane

C22H40F6O2 — CID 90238960

IUPAC6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadecane
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C22H40F6O2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5,29-15-21(23,24)25)30-16-22(26,27)28/h17-19H,6-16H2,1-5H3
InChIKeyMYYZRSFBZQLURU-UHFFFAOYSA-N
MW450.55 g/mol
LogP8.30
Rot. Bonds16

About 6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadecane

6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadecane (PubChem CID 90238960) has the molecular formula C22H40F6O2 and a molecular weight of 450.55 g/mol. Its IUPAC name is 6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadecane.

Molecular Properties

Compound Name6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadecane
PubChem CID90238960
Molecular FormulaC22H40F6O2
Molecular Weight450.55 g/mol
Exact Mass450.29
IUPAC Name6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadecane
SMILESCC(C)CCCC(C)CCCC(C)CCCC(C)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C22H40F6O2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5,29-15-21(23,24)25)30-16-22(26,27)28/h17-19H,6-16H2,1-5H3
InChIKeyMYYZRSFBZQLURU-UHFFFAOYSA-N
XLogP8.30
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.55
LogP ≤ 58.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadecane?
The IUPAC name of 6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadecane (CID 90238960) is 6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadecane.
What is the SMILES notation for 6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadecane?
The canonical SMILES for 6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadecane is CC(C)CCCC(C)CCCC(C)CCCC(C)(OCC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of 6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadecane?
The InChIKey is MYYZRSFBZQLURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40F6O2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5,29-15-21(23,24)25)30-16-22(26,27)28/h17-19H,6-16H2,1-5H3.
What are the key properties of 6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadecane?
6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadecane has a molecular weight of 450.55 g/mol, XLogP of 8.30, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadecane is sourced from PubChem (CID 90238960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).