(E)-4,5,8-triethyl-6,6,9,9,10,10,10-heptafluoro-2,4,5-trimethyldec-7-en-2-ol

C19H31F7O — CID 173477285

IUPAC(E)-4,5,8-triethyl-6,6,9,9,10,10,10-heptafluoro-2,4,5-trimethyldec-7-en-2-ol
SMILESCC/C(=C\C(F)(F)C(C)(CC)C(C)(CC)CC(C)(C)O)C(F)(F)C(F)(F)F
InChIInChI=1S/C19H31F7O/c1-8-13(18(22,23)19(24,25)26)11-17(20,21)16(7,10-3)15(6,9-2)12-14(4,5)27/h11,27H,8-10,12H2,1-7H3/b13-11+
InChIKeyATJGIAQWUMKNTQ-ACCUITESSA-N
MW408.44 g/mol
LogP7.15
Rot. Bonds9

About (E)-4,5,8-triethyl-6,6,9,9,10,10,10-heptafluoro-2,4,5-trimethyldec-7-en-2-ol

(E)-4,5,8-triethyl-6,6,9,9,10,10,10-heptafluoro-2,4,5-trimethyldec-7-en-2-ol (PubChem CID 173477285) has the molecular formula C19H31F7O and a molecular weight of 408.44 g/mol. Its IUPAC name is (E)-4,5,8-triethyl-6,6,9,9,10,10,10-heptafluoro-2,4,5-trimethyldec-7-en-2-ol.

Molecular Properties

Compound Name(E)-4,5,8-triethyl-6,6,9,9,10,10,10-heptafluoro-2,4,5-trimethyldec-7-en-2-ol
PubChem CID173477285
Molecular FormulaC19H31F7O
Molecular Weight408.44 g/mol
Exact Mass408.23
IUPAC Name(E)-4,5,8-triethyl-6,6,9,9,10,10,10-heptafluoro-2,4,5-trimethyldec-7-en-2-ol
SMILESCC/C(=C\C(F)(F)C(C)(CC)C(C)(CC)CC(C)(C)O)C(F)(F)C(F)(F)F
InChIInChI=1S/C19H31F7O/c1-8-13(18(22,23)19(24,25)26)11-17(20,21)16(7,10-3)15(6,9-2)12-14(4,5)27/h11,27H,8-10,12H2,1-7H3/b13-11+
InChIKeyATJGIAQWUMKNTQ-ACCUITESSA-N
XLogP7.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.44
LogP ≤ 57.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-4,5,8-triethyl-6,6,9,9,10,10,10-heptafluoro-2,4,5-trimethyldec-7-en-2-ol with MolForge

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Related Compounds

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(Z)-5-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)non-7-en-2-ol
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(Z)-1,1,1-trifluoro-2-(trifluoromethyl)undec-7-en-2-ol
CID 88575381
4-Tert-butyl-1,1,1-trifluoro-6-methyl-2-(trifluoromethyl)hept-5-en-2-ol
CID 88902184
5-Ethyl-1,1,1-trifluoro-3,3,5-trimethyl-2-(trifluoromethyl)hept-6-en-2-ol
CID 88977063
6-Tert-butyl-1,1,1-trifluoro-8,8-dimethyl-2-(trifluoromethyl)non-5-en-2-ol
CID 123817598
1,1,1,3,3,3-Hexafluoro-2-[4-(2,2,5,5-tetramethylhexan-3-yl)cyclohex-2-en-1-yl]propan-2-ol
CID 123992252
2-[(2,5-Dimethylcyclohex-3-en-1-yl)methyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 126626962
3-(Cyclopenten-1-ylmethyl)-1,1,1,3,4,4,5,6,6-nonafluoro-2-methylhex-5-en-2-ol
CID 140045550
(E)-1,1,1-trifluoro-6,6-dimethyl-2-(trifluoromethyl)dodec-10-en-2-ol
CID 141012194
2-Methyl-6-(trifluoromethyl)oct-6-en-2-ol
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Frequently Asked Questions

What is the IUPAC name of (E)-4,5,8-triethyl-6,6,9,9,10,10,10-heptafluoro-2,4,5-trimethyldec-7-en-2-ol?
The IUPAC name of (E)-4,5,8-triethyl-6,6,9,9,10,10,10-heptafluoro-2,4,5-trimethyldec-7-en-2-ol (CID 173477285) is (E)-4,5,8-triethyl-6,6,9,9,10,10,10-heptafluoro-2,4,5-trimethyldec-7-en-2-ol.
What is the SMILES notation for (E)-4,5,8-triethyl-6,6,9,9,10,10,10-heptafluoro-2,4,5-trimethyldec-7-en-2-ol?
The canonical SMILES for (E)-4,5,8-triethyl-6,6,9,9,10,10,10-heptafluoro-2,4,5-trimethyldec-7-en-2-ol is CC/C(=C\C(F)(F)C(C)(CC)C(C)(CC)CC(C)(C)O)C(F)(F)C(F)(F)F.
What is the InChIKey of (E)-4,5,8-triethyl-6,6,9,9,10,10,10-heptafluoro-2,4,5-trimethyldec-7-en-2-ol?
The InChIKey is ATJGIAQWUMKNTQ-ACCUITESSA-N. The full InChI is InChI=1S/C19H31F7O/c1-8-13(18(22,23)19(24,25)26)11-17(20,21)16(7,10-3)15(6,9-2)12-14(4,5)27/h11,27H,8-10,12H2,1-7H3/b13-11+.
What are the key properties of (E)-4,5,8-triethyl-6,6,9,9,10,10,10-heptafluoro-2,4,5-trimethyldec-7-en-2-ol?
(E)-4,5,8-triethyl-6,6,9,9,10,10,10-heptafluoro-2,4,5-trimethyldec-7-en-2-ol has a molecular weight of 408.44 g/mol, XLogP of 7.15, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4,5,8-triethyl-6,6,9,9,10,10,10-heptafluoro-2,4,5-trimethyldec-7-en-2-ol is sourced from PubChem (CID 173477285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).