(3S,5E)-2-methyl-6-(trifluoromethyl)nona-1,5,8-trien-3-ol

C11H15F3O — CID 89119642

IUPAC(3S,5E)-2-methyl-6-(trifluoromethyl)nona-1,5,8-trien-3-ol
SMILESC=CC/C(=C\C[C@H](O)C(=C)C)C(F)(F)F
InChIInChI=1S/C11H15F3O/c1-4-5-9(11(12,13)14)6-7-10(15)8(2)3/h4,6,10,15H,1-2,5,7H2,3H3/b9-6+/t10-/m0/s1
InChIKeyILZXDYOSEPDQAE-ZKXNXJMVSA-N
MW220.23 g/mol
LogP3.38
Rot. Bonds5

About (3S,5E)-2-methyl-6-(trifluoromethyl)nona-1,5,8-trien-3-ol

(3S,5E)-2-methyl-6-(trifluoromethyl)nona-1,5,8-trien-3-ol (PubChem CID 89119642) has the molecular formula C11H15F3O and a molecular weight of 220.23 g/mol. Its IUPAC name is (3S,5E)-2-methyl-6-(trifluoromethyl)nona-1,5,8-trien-3-ol.

Molecular Properties

Compound Name(3S,5E)-2-methyl-6-(trifluoromethyl)nona-1,5,8-trien-3-ol
PubChem CID89119642
Molecular FormulaC11H15F3O
Molecular Weight220.23 g/mol
Exact Mass220.11
IUPAC Name(3S,5E)-2-methyl-6-(trifluoromethyl)nona-1,5,8-trien-3-ol
SMILESC=CC/C(=C\C[C@H](O)C(=C)C)C(F)(F)F
InChIInChI=1S/C11H15F3O/c1-4-5-9(11(12,13)14)6-7-10(15)8(2)3/h4,6,10,15H,1-2,5,7H2,3H3/b9-6+/t10-/m0/s1
InChIKeyILZXDYOSEPDQAE-ZKXNXJMVSA-N
XLogP3.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3S,5E)-2-methyl-6-(trifluoromethyl)nona-1,5,8-trien-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,5E)-2-methyl-6-(trifluoromethyl)nona-1,5,8-trien-3-ol?
The IUPAC name of (3S,5E)-2-methyl-6-(trifluoromethyl)nona-1,5,8-trien-3-ol (CID 89119642) is (3S,5E)-2-methyl-6-(trifluoromethyl)nona-1,5,8-trien-3-ol.
What is the SMILES notation for (3S,5E)-2-methyl-6-(trifluoromethyl)nona-1,5,8-trien-3-ol?
The canonical SMILES for (3S,5E)-2-methyl-6-(trifluoromethyl)nona-1,5,8-trien-3-ol is C=CC/C(=C\C[C@H](O)C(=C)C)C(F)(F)F.
What is the InChIKey of (3S,5E)-2-methyl-6-(trifluoromethyl)nona-1,5,8-trien-3-ol?
The InChIKey is ILZXDYOSEPDQAE-ZKXNXJMVSA-N. The full InChI is InChI=1S/C11H15F3O/c1-4-5-9(11(12,13)14)6-7-10(15)8(2)3/h4,6,10,15H,1-2,5,7H2,3H3/b9-6+/t10-/m0/s1.
What are the key properties of (3S,5E)-2-methyl-6-(trifluoromethyl)nona-1,5,8-trien-3-ol?
(3S,5E)-2-methyl-6-(trifluoromethyl)nona-1,5,8-trien-3-ol has a molecular weight of 220.23 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5E)-2-methyl-6-(trifluoromethyl)nona-1,5,8-trien-3-ol is sourced from PubChem (CID 89119642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).