(6R)-2,6-dimethyl-8,8-bis(2,2,2-trifluoroethoxy)oct-2-ene

C14H22F6O2 — CID 90238868

IUPAC(6R)-2,6-dimethyl-8,8-bis(2,2,2-trifluoroethoxy)oct-2-ene
SMILESCC(C)=CCC[C@@H](C)CC(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C14H22F6O2/c1-10(2)5-4-6-11(3)7-12(21-8-13(15,16)17)22-9-14(18,19)20/h5,11-12H,4,6-9H2,1-3H3/t11-/m1/s1
InChIKeyMQPUIRNCPRTAGG-LLVKDONJSA-N
MW336.32 g/mol
LogP5.24
Rot. Bonds9

About (6R)-2,6-dimethyl-8,8-bis(2,2,2-trifluoroethoxy)oct-2-ene

(6R)-2,6-dimethyl-8,8-bis(2,2,2-trifluoroethoxy)oct-2-ene (PubChem CID 90238868) has the molecular formula C14H22F6O2 and a molecular weight of 336.32 g/mol. Its IUPAC name is (6R)-2,6-dimethyl-8,8-bis(2,2,2-trifluoroethoxy)oct-2-ene.

Molecular Properties

Compound Name(6R)-2,6-dimethyl-8,8-bis(2,2,2-trifluoroethoxy)oct-2-ene
PubChem CID90238868
Molecular FormulaC14H22F6O2
Molecular Weight336.32 g/mol
Exact Mass336.15
IUPAC Name(6R)-2,6-dimethyl-8,8-bis(2,2,2-trifluoroethoxy)oct-2-ene
SMILESCC(C)=CCC[C@@H](C)CC(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C14H22F6O2/c1-10(2)5-4-6-11(3)7-12(21-8-13(15,16)17)22-9-14(18,19)20/h5,11-12H,4,6-9H2,1-3H3/t11-/m1/s1
InChIKeyMQPUIRNCPRTAGG-LLVKDONJSA-N
XLogP5.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.32
LogP ≤ 55.24
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'}

Analyze (6R)-2,6-dimethyl-8,8-bis(2,2,2-trifluoroethoxy)oct-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6R)-8,8-bis[(3R)-3,7-dimethyloct-6-enoxy]-2,6-dimethyloct-2-ene
CID 87863892
(5R)-5,9-dimethyldeca-1,8-dien-3-ol
CID 10986927
(6R)-8,8-bis[[(3R)-3,7-dimethylocta-1,6-dien-3-yl]oxy]-2,6-dimethyloct-2-ene
CID 87863923
(Z)-8,8-diethoxy-2,6-dimethyloct-2-en-1-ol
CID 140695311
(2Z)-3,7-dimethyl-1,1-bis(2,2,2-trifluoroethoxy)octa-2,6-diene
CID 90239872
3,7-dimethyloct-6-en-1-ol;2-propan-2-yloxypropane
CID 174687264
(2R)-2,6-dimethylhept-5-en-1-amine
CID 163211564
bis(3,7-dimethyloct-6-enoxy)methanediol
CID 18544976
(2Z,4S,6R)-6,10-dimethylundeca-2,9-dien-4-ol
CID 139824549
2-hydroxy-4,8-dimethylnon-7-enenitrile
CID 59050259
4,8-dimethylnon-7-en-2-yl (E)-2-methylpent-2-enoate
CID 89245782
magnesium;(6S)-2,6-dimethyloct-2-ene;chloride
CID 164665719

Frequently Asked Questions

What is the IUPAC name of (6R)-2,6-dimethyl-8,8-bis(2,2,2-trifluoroethoxy)oct-2-ene?
The IUPAC name of (6R)-2,6-dimethyl-8,8-bis(2,2,2-trifluoroethoxy)oct-2-ene (CID 90238868) is (6R)-2,6-dimethyl-8,8-bis(2,2,2-trifluoroethoxy)oct-2-ene.
What is the SMILES notation for (6R)-2,6-dimethyl-8,8-bis(2,2,2-trifluoroethoxy)oct-2-ene?
The canonical SMILES for (6R)-2,6-dimethyl-8,8-bis(2,2,2-trifluoroethoxy)oct-2-ene is CC(C)=CCC[C@@H](C)CC(OCC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of (6R)-2,6-dimethyl-8,8-bis(2,2,2-trifluoroethoxy)oct-2-ene?
The InChIKey is MQPUIRNCPRTAGG-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22F6O2/c1-10(2)5-4-6-11(3)7-12(21-8-13(15,16)17)22-9-14(18,19)20/h5,11-12H,4,6-9H2,1-3H3/t11-/m1/s1.
What are the key properties of (6R)-2,6-dimethyl-8,8-bis(2,2,2-trifluoroethoxy)oct-2-ene?
(6R)-2,6-dimethyl-8,8-bis(2,2,2-trifluoroethoxy)oct-2-ene has a molecular weight of 336.32 g/mol, XLogP of 5.24, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2,6-dimethyl-8,8-bis(2,2,2-trifluoroethoxy)oct-2-ene is sourced from PubChem (CID 90238868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).