2,2-dimethyl-1-(1-octan-2-ylimidazol-2-yl)propan-1-ol

C16H30N2O — CID 102490466

IUPAC2,2-dimethyl-1-(1-octan-2-ylimidazol-2-yl)propan-1-ol
SMILESCCCCCCC(C)n1ccnc1C(O)C(C)(C)C
InChIInChI=1S/C16H30N2O/c1-6-7-8-9-10-13(2)18-12-11-17-15(18)14(19)16(3,4)5/h11-14,19H,6-10H2,1-5H3
InChIKeyUYACUORVBHQLCY-UHFFFAOYSA-N
MW266.43 g/mol
LogP4.49
Rot. Bonds7

About 2,2-dimethyl-1-(1-octan-2-ylimidazol-2-yl)propan-1-ol

2,2-dimethyl-1-(1-octan-2-ylimidazol-2-yl)propan-1-ol (PubChem CID 102490466) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2,2-dimethyl-1-(1-octan-2-ylimidazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-(1-octan-2-ylimidazol-2-yl)propan-1-ol
PubChem CID102490466
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2,2-dimethyl-1-(1-octan-2-ylimidazol-2-yl)propan-1-ol
SMILESCCCCCCC(C)n1ccnc1C(O)C(C)(C)C
InChIInChI=1S/C16H30N2O/c1-6-7-8-9-10-13(2)18-12-11-17-15(18)14(19)16(3,4)5/h11-14,19H,6-10H2,1-5H3
InChIKeyUYACUORVBHQLCY-UHFFFAOYSA-N
XLogP4.49
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(1-octan-2-ylimidazol-2-yl)propan-1-ol?
The IUPAC name of 2,2-dimethyl-1-(1-octan-2-ylimidazol-2-yl)propan-1-ol (CID 102490466) is 2,2-dimethyl-1-(1-octan-2-ylimidazol-2-yl)propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-(1-octan-2-ylimidazol-2-yl)propan-1-ol?
The canonical SMILES for 2,2-dimethyl-1-(1-octan-2-ylimidazol-2-yl)propan-1-ol is CCCCCCC(C)n1ccnc1C(O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-1-(1-octan-2-ylimidazol-2-yl)propan-1-ol?
The InChIKey is UYACUORVBHQLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-6-7-8-9-10-13(2)18-12-11-17-15(18)14(19)16(3,4)5/h11-14,19H,6-10H2,1-5H3.
What are the key properties of 2,2-dimethyl-1-(1-octan-2-ylimidazol-2-yl)propan-1-ol?
2,2-dimethyl-1-(1-octan-2-ylimidazol-2-yl)propan-1-ol has a molecular weight of 266.43 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(1-octan-2-ylimidazol-2-yl)propan-1-ol is sourced from PubChem (CID 102490466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).