(E,10R)-6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadec-5-ene

C22H38F6O2 — CID 90238477

IUPAC(E,10R)-6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadec-5-ene
SMILESC/C(=C\CCC(C)(OCC(F)(F)F)OCC(F)(F)F)CCC[C@H](C)CCCC(C)C
InChIInChI=1S/C22H38F6O2/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/h13,17-18H,6-12,14-16H2,1-5H3/b19-13+/t18-/m1/s1
InChIKeySHNUYFZWJWMWPH-UIMCMNAESA-N
MW448.53 g/mol
LogP8.22
Rot. Bonds15

About (E,10R)-6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadec-5-ene

(E,10R)-6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadec-5-ene (PubChem CID 90238477) has the molecular formula C22H38F6O2 and a molecular weight of 448.53 g/mol. Its IUPAC name is (E,10R)-6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadec-5-ene.

Molecular Properties

Compound Name(E,10R)-6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadec-5-ene
PubChem CID90238477
Molecular FormulaC22H38F6O2
Molecular Weight448.53 g/mol
Exact Mass448.28
IUPAC Name(E,10R)-6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadec-5-ene
SMILESC/C(=C\CCC(C)(OCC(F)(F)F)OCC(F)(F)F)CCC[C@H](C)CCCC(C)C
InChIInChI=1S/C22H38F6O2/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/h13,17-18H,6-12,14-16H2,1-5H3/b19-13+/t18-/m1/s1
InChIKeySHNUYFZWJWMWPH-UIMCMNAESA-N
XLogP8.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.53
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,10R)-6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadec-5-ene?
The IUPAC name of (E,10R)-6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadec-5-ene (CID 90238477) is (E,10R)-6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadec-5-ene.
What is the SMILES notation for (E,10R)-6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadec-5-ene?
The canonical SMILES for (E,10R)-6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadec-5-ene is C/C(=C\CCC(C)(OCC(F)(F)F)OCC(F)(F)F)CCC[C@H](C)CCCC(C)C.
What is the InChIKey of (E,10R)-6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadec-5-ene?
The InChIKey is SHNUYFZWJWMWPH-UIMCMNAESA-N. The full InChI is InChI=1S/C22H38F6O2/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/h13,17-18H,6-12,14-16H2,1-5H3/b19-13+/t18-/m1/s1.
What are the key properties of (E,10R)-6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadec-5-ene?
(E,10R)-6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadec-5-ene has a molecular weight of 448.53 g/mol, XLogP of 8.22, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,10R)-6,10,14-trimethyl-2,2-bis(2,2,2-trifluoroethoxy)pentadec-5-ene is sourced from PubChem (CID 90238477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).