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

C15H24F6O — CID 91173779

IUPAC5-tert-butyl-1,1,1-trifluoro-7,7-dimethyl-2-(trifluoromethyl)oct-4-en-2-ol
SMILESCC(C)(C)CC(=CCC(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
InChIKeyIWHSGFMKGJFJTE-UHFFFAOYSA-N
MW334.34 g/mol
LogP5.64
Rot. Bonds3

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

5-tert-butyl-1,1,1-trifluoro-7,7-dimethyl-2-(trifluoromethyl)oct-4-en-2-ol (PubChem CID 91173779) has the molecular formula C15H24F6O and a molecular weight of 334.34 g/mol. Its IUPAC name is 5-tert-butyl-1,1,1-trifluoro-7,7-dimethyl-2-(trifluoromethyl)oct-4-en-2-ol.

Molecular Properties

Compound Name5-tert-butyl-1,1,1-trifluoro-7,7-dimethyl-2-(trifluoromethyl)oct-4-en-2-ol
PubChem CID91173779
Molecular FormulaC15H24F6O
Molecular Weight334.34 g/mol
Exact Mass334.17
IUPAC Name5-tert-butyl-1,1,1-trifluoro-7,7-dimethyl-2-(trifluoromethyl)oct-4-en-2-ol
SMILESCC(C)(C)CC(=CCC(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
InChIKeyIWHSGFMKGJFJTE-UHFFFAOYSA-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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Related Compounds

3,3-Difluoro-4,8-dimethylnona-1,7-dien-4-ol
CID 15697150
5-Hydroxy-2-methyl-6,6,6-trifluoro-5-trifluoromethylhex-2-ene
CID 12783437
2-(Difluoromethyl)-1,1,1-trifluoro-5-methylhex-4-en-2-ol
CID 12783700
(E)-1,1,1-trifluoro-2-(trifluoromethyl)dec-4-en-2-ol
CID 13897884
(E)-1,1,1-trifluoro-2,9-dimethyldec-4-en-2-ol
CID 58852593
1,1,1,3,3,3-Hexafluoro-2-[3-fluoro-1-(2-methylprop-2-enyl)cyclobut-2-en-1-yl]propan-2-ol
CID 58854821
1,1,1-Trifluoro-2,9-dimethyldec-4-en-2-ol
CID 72444234
1,1,1-Trifluoro-6-methyl-4-propan-2-ylidene-2-(trifluoromethyl)hept-5-en-2-ol
CID 88579035
1,1,1-Trifluoro-2,6-dimethyl-4-propan-2-ylidenehept-5-en-2-ol
CID 88579037
4-Tert-butyl-1,1,1-trifluoro-6-methyl-2-(trifluoromethyl)hept-5-en-2-ol
CID 88902184
(Z)-1,1,1-trifluoro-2-(trifluoromethyl)dec-6-en-2-ol
CID 89159878
6-Tert-butyl-1,1,1-trifluoro-8,8-dimethyl-2-(trifluoromethyl)non-5-en-2-ol
CID 123817598

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,1,1-trifluoro-7,7-dimethyl-2-(trifluoromethyl)oct-4-en-2-ol?
The IUPAC name of 5-tert-butyl-1,1,1-trifluoro-7,7-dimethyl-2-(trifluoromethyl)oct-4-en-2-ol (CID 91173779) is 5-tert-butyl-1,1,1-trifluoro-7,7-dimethyl-2-(trifluoromethyl)oct-4-en-2-ol.
What is the SMILES notation for 5-tert-butyl-1,1,1-trifluoro-7,7-dimethyl-2-(trifluoromethyl)oct-4-en-2-ol?
The canonical SMILES for 5-tert-butyl-1,1,1-trifluoro-7,7-dimethyl-2-(trifluoromethyl)oct-4-en-2-ol is CC(C)(C)CC(=CCC(O)(C(F)(F)F)C(F)(F)F)C(C)(C)C.
What is the InChIKey of 5-tert-butyl-1,1,1-trifluoro-7,7-dimethyl-2-(trifluoromethyl)oct-4-en-2-ol?
The InChIKey is IWHSGFMKGJFJTE-UHFFFAOYSA-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.
What are the key properties of 5-tert-butyl-1,1,1-trifluoro-7,7-dimethyl-2-(trifluoromethyl)oct-4-en-2-ol?
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 5-tert-butyl-1,1,1-trifluoro-7,7-dimethyl-2-(trifluoromethyl)oct-4-en-2-ol is sourced from PubChem (CID 91173779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).