(5S)-5,6,10,14-tetramethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadecane

C23H42F6O2 — CID 126746123

IUPAC(5S)-5,6,10,14-tetramethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadecane
SMILESCC(C)CCCC(C)CCCC(C)[C@@H](C)CCC(C)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C23H42F6O2/c1-17(2)9-7-10-18(3)11-8-12-19(4)20(5)13-14-21(6,30-15-22(24,25)26)31-16-23(27,28)29/h17-20H,7-16H2,1-6H3/t18?,19?,20-/m0/s1
InChIKeyLHQGPNZOLAIZLM-MHJFOBGBSA-N
MW464.58 g/mol
LogP8.55
Rot. Bonds16

About (5S)-5,6,10,14-tetramethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadecane

(5S)-5,6,10,14-tetramethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadecane (PubChem CID 126746123) has the molecular formula C23H42F6O2 and a molecular weight of 464.58 g/mol. Its IUPAC name is (5S)-5,6,10,14-tetramethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadecane.

Molecular Properties

Compound Name(5S)-5,6,10,14-tetramethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadecane
PubChem CID126746123
Molecular FormulaC23H42F6O2
Molecular Weight464.58 g/mol
Exact Mass464.31
IUPAC Name(5S)-5,6,10,14-tetramethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadecane
SMILESCC(C)CCCC(C)CCCC(C)[C@@H](C)CCC(C)(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C23H42F6O2/c1-17(2)9-7-10-18(3)11-8-12-19(4)20(5)13-14-21(6,30-15-22(24,25)26)31-16-23(27,28)29/h17-20H,7-16H2,1-6H3/t18?,19?,20-/m0/s1
InChIKeyLHQGPNZOLAIZLM-MHJFOBGBSA-N
XLogP8.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.58
LogP ≤ 58.55
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 (5S)-5,6,10,14-tetramethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadecane?
The IUPAC name of (5S)-5,6,10,14-tetramethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadecane (CID 126746123) is (5S)-5,6,10,14-tetramethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadecane.
What is the SMILES notation for (5S)-5,6,10,14-tetramethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadecane?
The canonical SMILES for (5S)-5,6,10,14-tetramethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadecane is CC(C)CCCC(C)CCCC(C)[C@@H](C)CCC(C)(OCC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of (5S)-5,6,10,14-tetramethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadecane?
The InChIKey is LHQGPNZOLAIZLM-MHJFOBGBSA-N. The full InChI is InChI=1S/C23H42F6O2/c1-17(2)9-7-10-18(3)11-8-12-19(4)20(5)13-14-21(6,30-15-22(24,25)26)31-16-23(27,28)29/h17-20H,7-16H2,1-6H3/t18?,19?,20-/m0/s1.
What are the key properties of (5S)-5,6,10,14-tetramethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadecane?
(5S)-5,6,10,14-tetramethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadecane has a molecular weight of 464.58 g/mol, XLogP of 8.55, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5,6,10,14-tetramethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadecane is sourced from PubChem (CID 126746123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).