(E)-5,5,6,6,7,7,8,8,9,9,10,10-dodecafluoroheptadec-15-en-1-ol

C17H22F12O — CID 121403408

IUPAC(E)-5,5,6,6,7,7,8,8,9,9,10,10-dodecafluoroheptadec-15-en-1-ol
SMILESC/C=C/CCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCO
InChIInChI=1S/C17H22F12O/c1-2-3-4-5-6-9-12(18,19)14(22,23)16(26,27)17(28,29)15(24,25)13(20,21)10-7-8-11-30/h2-3,30H,4-11H2,1H3/b3-2+
InChIKeyOXEYXSVRQYYCGF-NSCUHMNNSA-N
MW470.34 g/mol
LogP7.10
Rot. Bonds14

About (E)-5,5,6,6,7,7,8,8,9,9,10,10-dodecafluoroheptadec-15-en-1-ol

(E)-5,5,6,6,7,7,8,8,9,9,10,10-dodecafluoroheptadec-15-en-1-ol (PubChem CID 121403408) has the molecular formula C17H22F12O and a molecular weight of 470.34 g/mol. Its IUPAC name is (E)-5,5,6,6,7,7,8,8,9,9,10,10-dodecafluoroheptadec-15-en-1-ol.

Molecular Properties

Compound Name(E)-5,5,6,6,7,7,8,8,9,9,10,10-dodecafluoroheptadec-15-en-1-ol
PubChem CID121403408
Molecular FormulaC17H22F12O
Molecular Weight470.34 g/mol
Exact Mass470.15
IUPAC Name(E)-5,5,6,6,7,7,8,8,9,9,10,10-dodecafluoroheptadec-15-en-1-ol
SMILESC/C=C/CCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCO
InChIInChI=1S/C17H22F12O/c1-2-3-4-5-6-9-12(18,19)14(22,23)16(26,27)17(28,29)15(24,25)13(20,21)10-7-8-11-30/h2-3,30H,4-11H2,1H3/b3-2+
InChIKeyOXEYXSVRQYYCGF-NSCUHMNNSA-N
XLogP7.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.34
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-5,5,6,6,7,7,8,8,9,9,10,10-dodecafluoroheptadec-15-en-1-ol?
The IUPAC name of (E)-5,5,6,6,7,7,8,8,9,9,10,10-dodecafluoroheptadec-15-en-1-ol (CID 121403408) is (E)-5,5,6,6,7,7,8,8,9,9,10,10-dodecafluoroheptadec-15-en-1-ol.
What is the SMILES notation for (E)-5,5,6,6,7,7,8,8,9,9,10,10-dodecafluoroheptadec-15-en-1-ol?
The canonical SMILES for (E)-5,5,6,6,7,7,8,8,9,9,10,10-dodecafluoroheptadec-15-en-1-ol is C/C=C/CCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCO.
What is the InChIKey of (E)-5,5,6,6,7,7,8,8,9,9,10,10-dodecafluoroheptadec-15-en-1-ol?
The InChIKey is OXEYXSVRQYYCGF-NSCUHMNNSA-N. The full InChI is InChI=1S/C17H22F12O/c1-2-3-4-5-6-9-12(18,19)14(22,23)16(26,27)17(28,29)15(24,25)13(20,21)10-7-8-11-30/h2-3,30H,4-11H2,1H3/b3-2+.
What are the key properties of (E)-5,5,6,6,7,7,8,8,9,9,10,10-dodecafluoroheptadec-15-en-1-ol?
(E)-5,5,6,6,7,7,8,8,9,9,10,10-dodecafluoroheptadec-15-en-1-ol has a molecular weight of 470.34 g/mol, XLogP of 7.10, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5,5,6,6,7,7,8,8,9,9,10,10-dodecafluoroheptadec-15-en-1-ol is sourced from PubChem (CID 121403408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).