(E)-8-imidazol-1-yl-2-methyloct-4-en-1-ol

C12H20N2O — CID 175867863

IUPAC(E)-8-imidazol-1-yl-2-methyloct-4-en-1-ol
SMILESCC(CO)C/C=C/CCCn1ccnc1
InChIInChI=1S/C12H20N2O/c1-12(10-15)6-4-2-3-5-8-14-9-7-13-11-14/h2,4,7,9,11-12,15H,3,5-6,8,10H2,1H3/b4-2+
InChIKeySXSMOYNGGAWZAA-DUXPYHPUSA-N
MW208.31 g/mol
LogP2.24
Rot. Bonds7

About (E)-8-imidazol-1-yl-2-methyloct-4-en-1-ol

(E)-8-imidazol-1-yl-2-methyloct-4-en-1-ol (PubChem CID 175867863) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is (E)-8-imidazol-1-yl-2-methyloct-4-en-1-ol.

Molecular Properties

Compound Name(E)-8-imidazol-1-yl-2-methyloct-4-en-1-ol
PubChem CID175867863
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name(E)-8-imidazol-1-yl-2-methyloct-4-en-1-ol
SMILESCC(CO)C/C=C/CCCn1ccnc1
InChIInChI=1S/C12H20N2O/c1-12(10-15)6-4-2-3-5-8-14-9-7-13-11-14/h2,4,7,9,11-12,15H,3,5-6,8,10H2,1H3/b4-2+
InChIKeySXSMOYNGGAWZAA-DUXPYHPUSA-N
XLogP2.24
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.24
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'}

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Frequently Asked Questions

What is the IUPAC name of (E)-8-imidazol-1-yl-2-methyloct-4-en-1-ol?
The IUPAC name of (E)-8-imidazol-1-yl-2-methyloct-4-en-1-ol (CID 175867863) is (E)-8-imidazol-1-yl-2-methyloct-4-en-1-ol.
What is the SMILES notation for (E)-8-imidazol-1-yl-2-methyloct-4-en-1-ol?
The canonical SMILES for (E)-8-imidazol-1-yl-2-methyloct-4-en-1-ol is CC(CO)C/C=C/CCCn1ccnc1.
What is the InChIKey of (E)-8-imidazol-1-yl-2-methyloct-4-en-1-ol?
The InChIKey is SXSMOYNGGAWZAA-DUXPYHPUSA-N. The full InChI is InChI=1S/C12H20N2O/c1-12(10-15)6-4-2-3-5-8-14-9-7-13-11-14/h2,4,7,9,11-12,15H,3,5-6,8,10H2,1H3/b4-2+.
What are the key properties of (E)-8-imidazol-1-yl-2-methyloct-4-en-1-ol?
(E)-8-imidazol-1-yl-2-methyloct-4-en-1-ol has a molecular weight of 208.31 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8-imidazol-1-yl-2-methyloct-4-en-1-ol is sourced from PubChem (CID 175867863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).