2-[[(3E,5E)-3-ethenyl-2-methylocta-3,5,7-trien-2-yl]oxymethyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C15H18F6O2 — CID 129145664

IUPAC2-[[(3E,5E)-3-ethenyl-2-methylocta-3,5,7-trien-2-yl]oxymethyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESC=C/C=C/C=C(\C=C)C(C)(C)OCC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H18F6O2/c1-5-7-8-9-11(6-2)12(3,4)23-10-13(22,14(16,17)18)15(19,20)21/h5-9,22H,1-2,10H2,3-4H3/b8-7+,11-9+
InChIKeyWYEZMEIYYIWTJM-MFDVASPDSA-N
MW344.30 g/mol
LogP4.49
Rot. Bonds7

About 2-[[(3E,5E)-3-ethenyl-2-methylocta-3,5,7-trien-2-yl]oxymethyl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[[(3E,5E)-3-ethenyl-2-methylocta-3,5,7-trien-2-yl]oxymethyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 129145664) has the molecular formula C15H18F6O2 and a molecular weight of 344.30 g/mol. Its IUPAC name is 2-[[(3E,5E)-3-ethenyl-2-methylocta-3,5,7-trien-2-yl]oxymethyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[[(3E,5E)-3-ethenyl-2-methylocta-3,5,7-trien-2-yl]oxymethyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID129145664
Molecular FormulaC15H18F6O2
Molecular Weight344.30 g/mol
Exact Mass344.12
IUPAC Name2-[[(3E,5E)-3-ethenyl-2-methylocta-3,5,7-trien-2-yl]oxymethyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESC=C/C=C/C=C(\C=C)C(C)(C)OCC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C15H18F6O2/c1-5-7-8-9-11(6-2)12(3,4)23-10-13(22,14(16,17)18)15(19,20)21/h5-9,22H,1-2,10H2,3-4H3/b8-7+,11-9+
InChIKeyWYEZMEIYYIWTJM-MFDVASPDSA-N
XLogP4.49
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-[[(3E,5E)-3-ethenyl-2-methylocta-3,5,7-trien-2-yl]oxymethyl]-1,1,1,3,3,3-hexafluoropropan-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[(3E,5E)-3-ethenyl-2-methylocta-3,5,7-trien-2-yl]oxymethyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[[(3E,5E)-3-ethenyl-2-methylocta-3,5,7-trien-2-yl]oxymethyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 129145664) is 2-[[(3E,5E)-3-ethenyl-2-methylocta-3,5,7-trien-2-yl]oxymethyl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[[(3E,5E)-3-ethenyl-2-methylocta-3,5,7-trien-2-yl]oxymethyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[[(3E,5E)-3-ethenyl-2-methylocta-3,5,7-trien-2-yl]oxymethyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is C=C/C=C/C=C(\C=C)C(C)(C)OCC(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[[(3E,5E)-3-ethenyl-2-methylocta-3,5,7-trien-2-yl]oxymethyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is WYEZMEIYYIWTJM-MFDVASPDSA-N. The full InChI is InChI=1S/C15H18F6O2/c1-5-7-8-9-11(6-2)12(3,4)23-10-13(22,14(16,17)18)15(19,20)21/h5-9,22H,1-2,10H2,3-4H3/b8-7+,11-9+.
What are the key properties of 2-[[(3E,5E)-3-ethenyl-2-methylocta-3,5,7-trien-2-yl]oxymethyl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[[(3E,5E)-3-ethenyl-2-methylocta-3,5,7-trien-2-yl]oxymethyl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 344.30 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3E,5E)-3-ethenyl-2-methylocta-3,5,7-trien-2-yl]oxymethyl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 129145664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).