6-tert-butyl-1,1,1-trifluoro-8,8-dimethyl-2-(trifluoromethyl)nona-3,5-dien-2-ol

C16H24F6O — CID 123256435

IUPAC6-tert-butyl-1,1,1-trifluoro-8,8-dimethyl-2-(trifluoromethyl)nona-3,5-dien-2-ol
SMILESCC(C)(C)CC(=CC=CC(O)(C(F)(F)F)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C16H24F6O/c1-12(2,3)10-11(13(4,5)6)8-7-9-14(23,15(17,18)19)16(20,21)22/h7-9,23H,10H2,1-6H3
InChIKeyAHIBXKWJHTUYKA-UHFFFAOYSA-N
MW346.36 g/mol
LogP5.81
Rot. Bonds3

About 6-tert-butyl-1,1,1-trifluoro-8,8-dimethyl-2-(trifluoromethyl)nona-3,5-dien-2-ol

6-tert-butyl-1,1,1-trifluoro-8,8-dimethyl-2-(trifluoromethyl)nona-3,5-dien-2-ol (PubChem CID 123256435) has the molecular formula C16H24F6O and a molecular weight of 346.36 g/mol. Its IUPAC name is 6-tert-butyl-1,1,1-trifluoro-8,8-dimethyl-2-(trifluoromethyl)nona-3,5-dien-2-ol.

Molecular Properties

Compound Name6-tert-butyl-1,1,1-trifluoro-8,8-dimethyl-2-(trifluoromethyl)nona-3,5-dien-2-ol
PubChem CID123256435
Molecular FormulaC16H24F6O
Molecular Weight346.36 g/mol
Exact Mass346.17
IUPAC Name6-tert-butyl-1,1,1-trifluoro-8,8-dimethyl-2-(trifluoromethyl)nona-3,5-dien-2-ol
SMILESCC(C)(C)CC(=CC=CC(O)(C(F)(F)F)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C16H24F6O/c1-12(2,3)10-11(13(4,5)6)8-7-9-14(23,15(17,18)19)16(20,21)22/h7-9,23H,10H2,1-6H3
InChIKeyAHIBXKWJHTUYKA-UHFFFAOYSA-N
XLogP5.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.36
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-tert-butyl-1,1,1-trifluoro-8,8-dimethyl-2-(trifluoromethyl)nona-3,5-dien-2-ol with MolForge

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Related Compounds

2,4-Ditert-butyl-1-(1,1,2,2,3,3,3-heptafluoropropyl)cyclopenta-2,4-dien-1-ol
CID 11783398
(E)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dec-3-en-2-ol
CID 22451075
1,1,1,3,3,3-Hexafluoro-2-[4-(2,5,5-trimethylhexan-3-yl)cyclohexa-1,5-dien-1-yl]propan-2-ol
CID 90869162
5-Tert-butyl-1,1,1-trifluoro-7,7-dimethyl-2-(trifluoromethyl)oct-3-en-2-ol
CID 123179402
6-Ethyl-3-ethylidene-1,1,1-trifluoro-2-methyl-5-propyldeca-4,6,8-trien-2-ol
CID 123314886
(Z)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dec-3-en-2-ol
CID 141012193
(3Z,10E)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodeca-3,10-dien-2-ol
CID 141012781
1,1,1,3,3,3-Hexafluoro-2-[3-methyl-4-(2,5,5-trimethylhexan-3-yl)cyclohexa-1,5-dien-1-yl]propan-2-ol
CID 164164963
(6Z,7E)-7-ethyl-8-fluoro-5-methyl-6-(2-methylprop-2-enylidene)deca-1,3,7-trien-2-ol
CID 175614379
(E)-1,1,1-trifluoro-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-2-ol
CID 10244447
(E)-4,4,5,5,5-pentafluoro-3-methyl-1-(2,6,6-trimethylcyclohexen-1-yl)pent-1-en-3-ol
CID 10267508
2,6,6-Trimethyl-1-(trifluoromethyl)cyclohepta-2,4-dien-1-ol
CID 11106875

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1,1,1-trifluoro-8,8-dimethyl-2-(trifluoromethyl)nona-3,5-dien-2-ol?
The IUPAC name of 6-tert-butyl-1,1,1-trifluoro-8,8-dimethyl-2-(trifluoromethyl)nona-3,5-dien-2-ol (CID 123256435) is 6-tert-butyl-1,1,1-trifluoro-8,8-dimethyl-2-(trifluoromethyl)nona-3,5-dien-2-ol.
What is the SMILES notation for 6-tert-butyl-1,1,1-trifluoro-8,8-dimethyl-2-(trifluoromethyl)nona-3,5-dien-2-ol?
The canonical SMILES for 6-tert-butyl-1,1,1-trifluoro-8,8-dimethyl-2-(trifluoromethyl)nona-3,5-dien-2-ol is CC(C)(C)CC(=CC=CC(O)(C(F)(F)F)C(F)(F)F)C(C)(C)C.
What is the InChIKey of 6-tert-butyl-1,1,1-trifluoro-8,8-dimethyl-2-(trifluoromethyl)nona-3,5-dien-2-ol?
The InChIKey is AHIBXKWJHTUYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F6O/c1-12(2,3)10-11(13(4,5)6)8-7-9-14(23,15(17,18)19)16(20,21)22/h7-9,23H,10H2,1-6H3.
What are the key properties of 6-tert-butyl-1,1,1-trifluoro-8,8-dimethyl-2-(trifluoromethyl)nona-3,5-dien-2-ol?
6-tert-butyl-1,1,1-trifluoro-8,8-dimethyl-2-(trifluoromethyl)nona-3,5-dien-2-ol has a molecular weight of 346.36 g/mol, XLogP of 5.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1,1,1-trifluoro-8,8-dimethyl-2-(trifluoromethyl)nona-3,5-dien-2-ol is sourced from PubChem (CID 123256435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).