3-(1-ethylimidazol-2-yl)-5,5-dimethylcyclohex-2-en-1-ol

C13H20N2O — CID 65174780

IUPAC3-(1-ethylimidazol-2-yl)-5,5-dimethylcyclohex-2-en-1-ol
SMILESCCn1ccnc1C1=CC(O)CC(C)(C)C1
InChIInChI=1S/C13H20N2O/c1-4-15-6-5-14-12(15)10-7-11(16)9-13(2,3)8-10/h5-7,11,16H,4,8-9H2,1-3H3
InChIKeyXSSWPJLDUISMCQ-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.47
Rot. Bonds2

About 3-(1-ethylimidazol-2-yl)-5,5-dimethylcyclohex-2-en-1-ol

3-(1-ethylimidazol-2-yl)-5,5-dimethylcyclohex-2-en-1-ol (PubChem CID 65174780) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-(1-ethylimidazol-2-yl)-5,5-dimethylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name3-(1-ethylimidazol-2-yl)-5,5-dimethylcyclohex-2-en-1-ol
PubChem CID65174780
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-(1-ethylimidazol-2-yl)-5,5-dimethylcyclohex-2-en-1-ol
SMILESCCn1ccnc1C1=CC(O)CC(C)(C)C1
InChIInChI=1S/C13H20N2O/c1-4-15-6-5-14-12(15)10-7-11(16)9-13(2,3)8-10/h5-7,11,16H,4,8-9H2,1-3H3
InChIKeyXSSWPJLDUISMCQ-UHFFFAOYSA-N
XLogP2.47
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylimidazol-2-yl)-5,5-dimethylcyclohex-2-en-1-ol?
The IUPAC name of 3-(1-ethylimidazol-2-yl)-5,5-dimethylcyclohex-2-en-1-ol (CID 65174780) is 3-(1-ethylimidazol-2-yl)-5,5-dimethylcyclohex-2-en-1-ol.
What is the SMILES notation for 3-(1-ethylimidazol-2-yl)-5,5-dimethylcyclohex-2-en-1-ol?
The canonical SMILES for 3-(1-ethylimidazol-2-yl)-5,5-dimethylcyclohex-2-en-1-ol is CCn1ccnc1C1=CC(O)CC(C)(C)C1.
What is the InChIKey of 3-(1-ethylimidazol-2-yl)-5,5-dimethylcyclohex-2-en-1-ol?
The InChIKey is XSSWPJLDUISMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-4-15-6-5-14-12(15)10-7-11(16)9-13(2,3)8-10/h5-7,11,16H,4,8-9H2,1-3H3.
What are the key properties of 3-(1-ethylimidazol-2-yl)-5,5-dimethylcyclohex-2-en-1-ol?
3-(1-ethylimidazol-2-yl)-5,5-dimethylcyclohex-2-en-1-ol has a molecular weight of 220.32 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylimidazol-2-yl)-5,5-dimethylcyclohex-2-en-1-ol is sourced from PubChem (CID 65174780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).