(Z)-5-tert-butyl-1,1,1-trifluoro-7,7-dimethyl-2-(trifluoromethyl)oct-4-en-2-ol

C15H24F6O — CID 162591478

IUPAC(Z)-5-tert-butyl-1,1,1-trifluoro-7,7-dimethyl-2-(trifluoromethyl)oct-4-en-2-ol
SMILESCC(C)(C)C/C(=C/CC(O)(C(F)(F)F)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C15H24F6O/c1-11(2,3)9-10(12(4,5)6)7-8-13(22,14(16,17)18)15(19,20)21/h7,22H,8-9H2,1-6H3/b10-7-
InChIKeyIWHSGFMKGJFJTE-YFHOEESVSA-N
MW334.34 g/mol
LogP5.64
Rot. Bonds3

About (Z)-5-tert-butyl-1,1,1-trifluoro-7,7-dimethyl-2-(trifluoromethyl)oct-4-en-2-ol

(Z)-5-tert-butyl-1,1,1-trifluoro-7,7-dimethyl-2-(trifluoromethyl)oct-4-en-2-ol (PubChem CID 162591478) has the molecular formula C15H24F6O and a molecular weight of 334.34 g/mol. Its IUPAC name is (Z)-5-tert-butyl-1,1,1-trifluoro-7,7-dimethyl-2-(trifluoromethyl)oct-4-en-2-ol.

Molecular Properties

Compound Name(Z)-5-tert-butyl-1,1,1-trifluoro-7,7-dimethyl-2-(trifluoromethyl)oct-4-en-2-ol
PubChem CID162591478
Molecular FormulaC15H24F6O
Molecular Weight334.34 g/mol
Exact Mass334.17
IUPAC Name(Z)-5-tert-butyl-1,1,1-trifluoro-7,7-dimethyl-2-(trifluoromethyl)oct-4-en-2-ol
SMILESCC(C)(C)C/C(=C/CC(O)(C(F)(F)F)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C15H24F6O/c1-11(2,3)9-10(12(4,5)6)7-8-13(22,14(16,17)18)15(19,20)21/h7,22H,8-9H2,1-6H3/b10-7-
InChIKeyIWHSGFMKGJFJTE-YFHOEESVSA-N
XLogP5.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.34
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-tert-butyl-1,1,1-trifluoro-7,7-dimethyl-2-(trifluoromethyl)oct-4-en-2-ol?
The IUPAC name of (Z)-5-tert-butyl-1,1,1-trifluoro-7,7-dimethyl-2-(trifluoromethyl)oct-4-en-2-ol (CID 162591478) is (Z)-5-tert-butyl-1,1,1-trifluoro-7,7-dimethyl-2-(trifluoromethyl)oct-4-en-2-ol.
What is the SMILES notation for (Z)-5-tert-butyl-1,1,1-trifluoro-7,7-dimethyl-2-(trifluoromethyl)oct-4-en-2-ol?
The canonical SMILES for (Z)-5-tert-butyl-1,1,1-trifluoro-7,7-dimethyl-2-(trifluoromethyl)oct-4-en-2-ol is CC(C)(C)C/C(=C/CC(O)(C(F)(F)F)C(F)(F)F)C(C)(C)C.
What is the InChIKey of (Z)-5-tert-butyl-1,1,1-trifluoro-7,7-dimethyl-2-(trifluoromethyl)oct-4-en-2-ol?
The InChIKey is IWHSGFMKGJFJTE-YFHOEESVSA-N. The full InChI is InChI=1S/C15H24F6O/c1-11(2,3)9-10(12(4,5)6)7-8-13(22,14(16,17)18)15(19,20)21/h7,22H,8-9H2,1-6H3/b10-7-.
What are the key properties of (Z)-5-tert-butyl-1,1,1-trifluoro-7,7-dimethyl-2-(trifluoromethyl)oct-4-en-2-ol?
(Z)-5-tert-butyl-1,1,1-trifluoro-7,7-dimethyl-2-(trifluoromethyl)oct-4-en-2-ol has a molecular weight of 334.34 g/mol, XLogP of 5.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-tert-butyl-1,1,1-trifluoro-7,7-dimethyl-2-(trifluoromethyl)oct-4-en-2-ol is sourced from PubChem (CID 162591478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).