(2E,4E,6E)-5-tert-butyl-8,8-dimethylnona-2,4,6-trien-2-ol

C15H26O — CID 142208270

IUPAC(2E,4E,6E)-5-tert-butyl-8,8-dimethylnona-2,4,6-trien-2-ol
SMILESC/C(O)=C\C=C(/C=C/C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H26O/c1-12(16)8-9-13(15(5,6)7)10-11-14(2,3)4/h8-11,16H,1-7H3/b11-10+,12-8+,13-9+
InChIKeyUKELUTHZHAKZPQ-SQYYMOODSA-N
MW222.37 g/mol
LogP5.02
Rot. Bonds2

About (2E,4E,6E)-5-tert-butyl-8,8-dimethylnona-2,4,6-trien-2-ol

(2E,4E,6E)-5-tert-butyl-8,8-dimethylnona-2,4,6-trien-2-ol (PubChem CID 142208270) has the molecular formula C15H26O and a molecular weight of 222.37 g/mol. Its IUPAC name is (2E,4E,6E)-5-tert-butyl-8,8-dimethylnona-2,4,6-trien-2-ol.

Molecular Properties

Compound Name(2E,4E,6E)-5-tert-butyl-8,8-dimethylnona-2,4,6-trien-2-ol
PubChem CID142208270
Molecular FormulaC15H26O
Molecular Weight222.37 g/mol
Exact Mass222.20
IUPAC Name(2E,4E,6E)-5-tert-butyl-8,8-dimethylnona-2,4,6-trien-2-ol
SMILESC/C(O)=C\C=C(/C=C/C(C)(C)C)C(C)(C)C
InChIInChI=1S/C15H26O/c1-12(16)8-9-13(15(5,6)7)10-11-14(2,3)4/h8-11,16H,1-7H3/b11-10+,12-8+,13-9+
InChIKeyUKELUTHZHAKZPQ-SQYYMOODSA-N
XLogP5.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.37
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4E,6E)-5-tert-butyl-8,8-dimethylnona-2,4,6-trien-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

Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E)-5-tert-butyl-8,8-dimethylnona-2,4,6-trien-2-ol?
The IUPAC name of (2E,4E,6E)-5-tert-butyl-8,8-dimethylnona-2,4,6-trien-2-ol (CID 142208270) is (2E,4E,6E)-5-tert-butyl-8,8-dimethylnona-2,4,6-trien-2-ol.
What is the SMILES notation for (2E,4E,6E)-5-tert-butyl-8,8-dimethylnona-2,4,6-trien-2-ol?
The canonical SMILES for (2E,4E,6E)-5-tert-butyl-8,8-dimethylnona-2,4,6-trien-2-ol is C/C(O)=C\C=C(/C=C/C(C)(C)C)C(C)(C)C.
What is the InChIKey of (2E,4E,6E)-5-tert-butyl-8,8-dimethylnona-2,4,6-trien-2-ol?
The InChIKey is UKELUTHZHAKZPQ-SQYYMOODSA-N. The full InChI is InChI=1S/C15H26O/c1-12(16)8-9-13(15(5,6)7)10-11-14(2,3)4/h8-11,16H,1-7H3/b11-10+,12-8+,13-9+.
What are the key properties of (2E,4E,6E)-5-tert-butyl-8,8-dimethylnona-2,4,6-trien-2-ol?
(2E,4E,6E)-5-tert-butyl-8,8-dimethylnona-2,4,6-trien-2-ol has a molecular weight of 222.37 g/mol, XLogP of 5.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E)-5-tert-butyl-8,8-dimethylnona-2,4,6-trien-2-ol is sourced from PubChem (CID 142208270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).