1-(3-methylimidazol-4-yl)oct-7-en-1-ol

C12H20N2O — CID 107008689

IUPAC1-(3-methylimidazol-4-yl)oct-7-en-1-ol
SMILESC=CCCCCCC(O)c1cncn1C
InChIInChI=1S/C12H20N2O/c1-3-4-5-6-7-8-12(15)11-9-13-10-14(11)2/h3,9-10,12,15H,1,4-8H2,2H3
InChIKeyPNOFSPISBDRROP-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.59
Rot. Bonds7

About 1-(3-methylimidazol-4-yl)oct-7-en-1-ol

1-(3-methylimidazol-4-yl)oct-7-en-1-ol (PubChem CID 107008689) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-(3-methylimidazol-4-yl)oct-7-en-1-ol.

Molecular Properties

Compound Name1-(3-methylimidazol-4-yl)oct-7-en-1-ol
PubChem CID107008689
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-(3-methylimidazol-4-yl)oct-7-en-1-ol
SMILESC=CCCCCCC(O)c1cncn1C
InChIInChI=1S/C12H20N2O/c1-3-4-5-6-7-8-12(15)11-9-13-10-14(11)2/h3,9-10,12,15H,1,4-8H2,2H3
InChIKeyPNOFSPISBDRROP-UHFFFAOYSA-N
XLogP2.59
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.59
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 1-(3-methylimidazol-4-yl)oct-7-en-1-ol?
The IUPAC name of 1-(3-methylimidazol-4-yl)oct-7-en-1-ol (CID 107008689) is 1-(3-methylimidazol-4-yl)oct-7-en-1-ol.
What is the SMILES notation for 1-(3-methylimidazol-4-yl)oct-7-en-1-ol?
The canonical SMILES for 1-(3-methylimidazol-4-yl)oct-7-en-1-ol is C=CCCCCCC(O)c1cncn1C.
What is the InChIKey of 1-(3-methylimidazol-4-yl)oct-7-en-1-ol?
The InChIKey is PNOFSPISBDRROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-4-5-6-7-8-12(15)11-9-13-10-14(11)2/h3,9-10,12,15H,1,4-8H2,2H3.
What are the key properties of 1-(3-methylimidazol-4-yl)oct-7-en-1-ol?
1-(3-methylimidazol-4-yl)oct-7-en-1-ol has a molecular weight of 208.30 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylimidazol-4-yl)oct-7-en-1-ol is sourced from PubChem (CID 107008689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).