(E)-4-imidazol-1-yl-2,2-dimethyldec-5-en-3-ol

C15H26N2O — CID 20501333

IUPAC(E)-4-imidazol-1-yl-2,2-dimethyldec-5-en-3-ol
SMILESCCCC/C=C/C(C(O)C(C)(C)C)n1ccnc1
InChIInChI=1S/C15H26N2O/c1-5-6-7-8-9-13(14(18)15(2,3)4)17-11-10-16-12-17/h8-14,18H,5-7H2,1-4H3/b9-8+
InChIKeyAEFIUOQBDHVMNS-CMDGGOBGSA-N
MW250.39 g/mol
LogP3.58
Rot. Bonds6

About (E)-4-imidazol-1-yl-2,2-dimethyldec-5-en-3-ol

(E)-4-imidazol-1-yl-2,2-dimethyldec-5-en-3-ol (PubChem CID 20501333) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is (E)-4-imidazol-1-yl-2,2-dimethyldec-5-en-3-ol.

Molecular Properties

Compound Name(E)-4-imidazol-1-yl-2,2-dimethyldec-5-en-3-ol
PubChem CID20501333
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name(E)-4-imidazol-1-yl-2,2-dimethyldec-5-en-3-ol
SMILESCCCC/C=C/C(C(O)C(C)(C)C)n1ccnc1
InChIInChI=1S/C15H26N2O/c1-5-6-7-8-9-13(14(18)15(2,3)4)17-11-10-16-12-17/h8-14,18H,5-7H2,1-4H3/b9-8+
InChIKeyAEFIUOQBDHVMNS-CMDGGOBGSA-N
XLogP3.58
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-4-imidazol-1-yl-2,2-dimethyldec-5-en-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 (E)-4-imidazol-1-yl-2,2-dimethyldec-5-en-3-ol?
The IUPAC name of (E)-4-imidazol-1-yl-2,2-dimethyldec-5-en-3-ol (CID 20501333) is (E)-4-imidazol-1-yl-2,2-dimethyldec-5-en-3-ol.
What is the SMILES notation for (E)-4-imidazol-1-yl-2,2-dimethyldec-5-en-3-ol?
The canonical SMILES for (E)-4-imidazol-1-yl-2,2-dimethyldec-5-en-3-ol is CCCC/C=C/C(C(O)C(C)(C)C)n1ccnc1.
What is the InChIKey of (E)-4-imidazol-1-yl-2,2-dimethyldec-5-en-3-ol?
The InChIKey is AEFIUOQBDHVMNS-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-6-7-8-9-13(14(18)15(2,3)4)17-11-10-16-12-17/h8-14,18H,5-7H2,1-4H3/b9-8+.
What are the key properties of (E)-4-imidazol-1-yl-2,2-dimethyldec-5-en-3-ol?
(E)-4-imidazol-1-yl-2,2-dimethyldec-5-en-3-ol has a molecular weight of 250.39 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-imidazol-1-yl-2,2-dimethyldec-5-en-3-ol is sourced from PubChem (CID 20501333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).