(E)-1,1,1-trifluoro-2,9-dimethyldec-4-en-2-ol

C12H21F3O — CID 58852593

IUPAC(E)-1,1,1-trifluoro-2,9-dimethyldec-4-en-2-ol
SMILESCC(C)CCC/C=C/CC(C)(O)C(F)(F)F
InChIInChI=1S/C12H21F3O/c1-10(2)8-6-4-5-7-9-11(3,16)12(13,14)15/h5,7,10,16H,4,6,8-9H2,1-3H3/b7-5+
InChIKeyNLXQXVQZHYYAEL-FNORWQNLSA-N
MW238.29 g/mol
LogP4.07
Rot. Bonds6

About (E)-1,1,1-trifluoro-2,9-dimethyldec-4-en-2-ol

(E)-1,1,1-trifluoro-2,9-dimethyldec-4-en-2-ol (PubChem CID 58852593) has the molecular formula C12H21F3O and a molecular weight of 238.29 g/mol. Its IUPAC name is (E)-1,1,1-trifluoro-2,9-dimethyldec-4-en-2-ol.

Molecular Properties

Compound Name(E)-1,1,1-trifluoro-2,9-dimethyldec-4-en-2-ol
PubChem CID58852593
Molecular FormulaC12H21F3O
Molecular Weight238.29 g/mol
Exact Mass238.15
IUPAC Name(E)-1,1,1-trifluoro-2,9-dimethyldec-4-en-2-ol
SMILESCC(C)CCC/C=C/CC(C)(O)C(F)(F)F
InChIInChI=1S/C12H21F3O/c1-10(2)8-6-4-5-7-9-11(3,16)12(13,14)15/h5,7,10,16H,4,6,8-9H2,1-3H3/b7-5+
InChIKeyNLXQXVQZHYYAEL-FNORWQNLSA-N
XLogP4.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 54.07
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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1-trifluoro-2,9-dimethyldec-4-en-2-ol?
The IUPAC name of (E)-1,1,1-trifluoro-2,9-dimethyldec-4-en-2-ol (CID 58852593) is (E)-1,1,1-trifluoro-2,9-dimethyldec-4-en-2-ol.
What is the SMILES notation for (E)-1,1,1-trifluoro-2,9-dimethyldec-4-en-2-ol?
The canonical SMILES for (E)-1,1,1-trifluoro-2,9-dimethyldec-4-en-2-ol is CC(C)CCC/C=C/CC(C)(O)C(F)(F)F.
What is the InChIKey of (E)-1,1,1-trifluoro-2,9-dimethyldec-4-en-2-ol?
The InChIKey is NLXQXVQZHYYAEL-FNORWQNLSA-N. The full InChI is InChI=1S/C12H21F3O/c1-10(2)8-6-4-5-7-9-11(3,16)12(13,14)15/h5,7,10,16H,4,6,8-9H2,1-3H3/b7-5+.
What are the key properties of (E)-1,1,1-trifluoro-2,9-dimethyldec-4-en-2-ol?
(E)-1,1,1-trifluoro-2,9-dimethyldec-4-en-2-ol has a molecular weight of 238.29 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1-trifluoro-2,9-dimethyldec-4-en-2-ol is sourced from PubChem (CID 58852593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).