7-tert-butyl-3-ethyl-1,1,1-trifluoro-9-methyl-6-methylidene-2-(trifluoromethyl)dec-4-en-2-ol

C19H30F6O — CID 123487374

IUPAC7-tert-butyl-3-ethyl-1,1,1-trifluoro-9-methyl-6-methylidene-2-(trifluoromethyl)dec-4-en-2-ol
SMILESC=C(C=CC(CC)C(O)(C(F)(F)F)C(F)(F)F)C(CC(C)C)C(C)(C)C
InChIInChI=1S/C19H30F6O/c1-8-14(17(26,18(20,21)22)19(23,24)25)10-9-13(4)15(11-12(2)3)16(5,6)7/h9-10,12,14-15,26H,4,8,11H2,1-3,5-7H3
InChIKeyAECDHARREVAULJ-UHFFFAOYSA-N
MW388.44 g/mol
LogP6.69
Rot. Bonds7

About 7-tert-butyl-3-ethyl-1,1,1-trifluoro-9-methyl-6-methylidene-2-(trifluoromethyl)dec-4-en-2-ol

7-tert-butyl-3-ethyl-1,1,1-trifluoro-9-methyl-6-methylidene-2-(trifluoromethyl)dec-4-en-2-ol (PubChem CID 123487374) has the molecular formula C19H30F6O and a molecular weight of 388.44 g/mol. Its IUPAC name is 7-tert-butyl-3-ethyl-1,1,1-trifluoro-9-methyl-6-methylidene-2-(trifluoromethyl)dec-4-en-2-ol.

Molecular Properties

Compound Name7-tert-butyl-3-ethyl-1,1,1-trifluoro-9-methyl-6-methylidene-2-(trifluoromethyl)dec-4-en-2-ol
PubChem CID123487374
Molecular FormulaC19H30F6O
Molecular Weight388.44 g/mol
Exact Mass388.22
IUPAC Name7-tert-butyl-3-ethyl-1,1,1-trifluoro-9-methyl-6-methylidene-2-(trifluoromethyl)dec-4-en-2-ol
SMILESC=C(C=CC(CC)C(O)(C(F)(F)F)C(F)(F)F)C(CC(C)C)C(C)(C)C
InChIInChI=1S/C19H30F6O/c1-8-14(17(26,18(20,21)22)19(23,24)25)10-9-13(4)15(11-12(2)3)16(5,6)7/h9-10,12,14-15,26H,4,8,11H2,1-3,5-7H3
InChIKeyAECDHARREVAULJ-UHFFFAOYSA-N
XLogP6.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.44
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 7-tert-butyl-3-ethyl-1,1,1-trifluoro-9-methyl-6-methylidene-2-(trifluoromethyl)dec-4-en-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

Related Compounds

2-[1-[(E)-3-cyclohexylprop-2-enyl]-3-fluorocyclobut-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 58854818
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
1,6-Di-tert-butyl-4-trifluoromethylphenol
CID 67945072
4-Tert-butyl-1,1,1-trifluoro-6-methyl-2-(trifluoromethyl)hept-5-en-2-ol
CID 88902184
(E,3S)-1,1,1-trifluoro-3,7,8,8-tetramethyl-2-(trifluoromethyl)non-5-en-2-ol
CID 89150430
2-[4-(3,3-Dimethylbutyl)cyclohexa-2,4-dien-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 89380213
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
(4Z)-2,4-dimethyl-3-(trifluoromethyl)hexa-2,4-diene;trifluoromethanol;1,1,1-trifluoro-3,4,5-trimethyl-2-(trifluoromethyl)hex-4-en-2-ol
CID 91361115
1,1,1,3-Tetrafluoro-2-[4-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-1,5-dien-1-yl]butan-2-ol
CID 123183717
5-[1,1,1,3,3,3-Hexafluoro-2-[(2-methylpropan-2-yl)oxy]propan-2-yl]-6-methyl-2-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-1,3-diene
CID 123246675
1,1,1,3,3,3-Hexafluoro-2-(4-methylcyclohexa-2,4-dien-1-yl)propan-2-ol
CID 123705072
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 7-tert-butyl-3-ethyl-1,1,1-trifluoro-9-methyl-6-methylidene-2-(trifluoromethyl)dec-4-en-2-ol?
The IUPAC name of 7-tert-butyl-3-ethyl-1,1,1-trifluoro-9-methyl-6-methylidene-2-(trifluoromethyl)dec-4-en-2-ol (CID 123487374) is 7-tert-butyl-3-ethyl-1,1,1-trifluoro-9-methyl-6-methylidene-2-(trifluoromethyl)dec-4-en-2-ol.
What is the SMILES notation for 7-tert-butyl-3-ethyl-1,1,1-trifluoro-9-methyl-6-methylidene-2-(trifluoromethyl)dec-4-en-2-ol?
The canonical SMILES for 7-tert-butyl-3-ethyl-1,1,1-trifluoro-9-methyl-6-methylidene-2-(trifluoromethyl)dec-4-en-2-ol is C=C(C=CC(CC)C(O)(C(F)(F)F)C(F)(F)F)C(CC(C)C)C(C)(C)C.
What is the InChIKey of 7-tert-butyl-3-ethyl-1,1,1-trifluoro-9-methyl-6-methylidene-2-(trifluoromethyl)dec-4-en-2-ol?
The InChIKey is AECDHARREVAULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30F6O/c1-8-14(17(26,18(20,21)22)19(23,24)25)10-9-13(4)15(11-12(2)3)16(5,6)7/h9-10,12,14-15,26H,4,8,11H2,1-3,5-7H3.
What are the key properties of 7-tert-butyl-3-ethyl-1,1,1-trifluoro-9-methyl-6-methylidene-2-(trifluoromethyl)dec-4-en-2-ol?
7-tert-butyl-3-ethyl-1,1,1-trifluoro-9-methyl-6-methylidene-2-(trifluoromethyl)dec-4-en-2-ol has a molecular weight of 388.44 g/mol, XLogP of 6.69, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-3-ethyl-1,1,1-trifluoro-9-methyl-6-methylidene-2-(trifluoromethyl)dec-4-en-2-ol is sourced from PubChem (CID 123487374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).