6-tert-butyl-1,1,1-trifluoro-8,8-dimethyl-2-(trifluoromethyl)non-5-en-2-ol

C16H26F6O — CID 123817598

IUPAC6-tert-butyl-1,1,1-trifluoro-8,8-dimethyl-2-(trifluoromethyl)non-5-en-2-ol
SMILESCC(C)(C)CC(=CCCC(O)(C(F)(F)F)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C16H26F6O/c1-12(2,3)10-11(13(4,5)6)8-7-9-14(23,15(17,18)19)16(20,21)22/h8,23H,7,9-10H2,1-6H3
InChIKeyDMWCWMGPPVPNDT-UHFFFAOYSA-N
MW348.37 g/mol
LogP6.03
Rot. Bonds4

About 6-tert-butyl-1,1,1-trifluoro-8,8-dimethyl-2-(trifluoromethyl)non-5-en-2-ol

6-tert-butyl-1,1,1-trifluoro-8,8-dimethyl-2-(trifluoromethyl)non-5-en-2-ol (PubChem CID 123817598) has the molecular formula C16H26F6O and a molecular weight of 348.37 g/mol. Its IUPAC name is 6-tert-butyl-1,1,1-trifluoro-8,8-dimethyl-2-(trifluoromethyl)non-5-en-2-ol.

Molecular Properties

Compound Name6-tert-butyl-1,1,1-trifluoro-8,8-dimethyl-2-(trifluoromethyl)non-5-en-2-ol
PubChem CID123817598
Molecular FormulaC16H26F6O
Molecular Weight348.37 g/mol
Exact Mass348.19
IUPAC Name6-tert-butyl-1,1,1-trifluoro-8,8-dimethyl-2-(trifluoromethyl)non-5-en-2-ol
SMILESCC(C)(C)CC(=CCCC(O)(C(F)(F)F)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C16H26F6O/c1-12(2,3)10-11(13(4,5)6)8-7-9-14(23,15(17,18)19)16(20,21)22/h8,23H,7,9-10H2,1-6H3
InChIKeyDMWCWMGPPVPNDT-UHFFFAOYSA-N
XLogP6.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.37
LogP ≤ 56.03
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 6-tert-butyl-1,1,1-trifluoro-8,8-dimethyl-2-(trifluoromethyl)non-5-en-2-ol?
The IUPAC name of 6-tert-butyl-1,1,1-trifluoro-8,8-dimethyl-2-(trifluoromethyl)non-5-en-2-ol (CID 123817598) is 6-tert-butyl-1,1,1-trifluoro-8,8-dimethyl-2-(trifluoromethyl)non-5-en-2-ol.
What is the SMILES notation for 6-tert-butyl-1,1,1-trifluoro-8,8-dimethyl-2-(trifluoromethyl)non-5-en-2-ol?
The canonical SMILES for 6-tert-butyl-1,1,1-trifluoro-8,8-dimethyl-2-(trifluoromethyl)non-5-en-2-ol is CC(C)(C)CC(=CCCC(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)non-5-en-2-ol?
The InChIKey is DMWCWMGPPVPNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F6O/c1-12(2,3)10-11(13(4,5)6)8-7-9-14(23,15(17,18)19)16(20,21)22/h8,23H,7,9-10H2,1-6H3.
What are the key properties of 6-tert-butyl-1,1,1-trifluoro-8,8-dimethyl-2-(trifluoromethyl)non-5-en-2-ol?
6-tert-butyl-1,1,1-trifluoro-8,8-dimethyl-2-(trifluoromethyl)non-5-en-2-ol has a molecular weight of 348.37 g/mol, XLogP of 6.03, 4 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)non-5-en-2-ol is sourced from PubChem (CID 123817598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).