3,7-dimethyl-1-(2-methylimidazol-1-yl)oct-6-ene-2,3-diol

C14H24N2O2 — CID 139677203

IUPAC3,7-dimethyl-1-(2-methylimidazol-1-yl)oct-6-ene-2,3-diol
SMILESCC(C)=CCCC(C)(O)C(O)Cn1ccnc1C
InChIInChI=1S/C14H24N2O2/c1-11(2)6-5-7-14(4,18)13(17)10-16-9-8-15-12(16)3/h6,8-9,13,17-18H,5,7,10H2,1-4H3
InChIKeyRGABAHDKUKXRCZ-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.05
Rot. Bonds6

About 3,7-dimethyl-1-(2-methylimidazol-1-yl)oct-6-ene-2,3-diol

3,7-dimethyl-1-(2-methylimidazol-1-yl)oct-6-ene-2,3-diol (PubChem CID 139677203) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 3,7-dimethyl-1-(2-methylimidazol-1-yl)oct-6-ene-2,3-diol.

Molecular Properties

Compound Name3,7-dimethyl-1-(2-methylimidazol-1-yl)oct-6-ene-2,3-diol
PubChem CID139677203
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name3,7-dimethyl-1-(2-methylimidazol-1-yl)oct-6-ene-2,3-diol
SMILESCC(C)=CCCC(C)(O)C(O)Cn1ccnc1C
InChIInChI=1S/C14H24N2O2/c1-11(2)6-5-7-14(4,18)13(17)10-16-9-8-15-12(16)3/h6,8-9,13,17-18H,5,7,10H2,1-4H3
InChIKeyRGABAHDKUKXRCZ-UHFFFAOYSA-N
XLogP2.05
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,7-dimethyl-1-(2-methylimidazol-1-yl)oct-6-ene-2,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,7-Dimethyl-1-(2-methylimidazol-1-yl)octane-2,3-diol
CID 85588869
3,7,11-Trimethyl-1-(2-methylimidazol-1-yl)dodeca-6,10-diene-2,3-diol
CID 139677218
2-Imidazol-1-yl-5,5-dimethylcyclohex-2-en-1-ol
CID 141424917
1-(Cyclohex-3-en-1-ylmethoxy)-3-imidazol-1-ylpropan-2-ol
CID 45132544
2-[Cyclohex-3-en-1-ylmethyl-[(1-methylimidazol-2-yl)methyl]amino]ethanol
CID 45207556
2-[2-(6-Methylhept-5-en-2-yl)imidazol-1-yl]ethanol
CID 56754070
1-[(6-Methylcyclohex-3-en-1-yl)methoxy]-3-[(1-methylimidazol-2-yl)methylamino]propan-2-ol
CID 63295875
Cyclohex-3-en-1-yl-(1-methylimidazol-2-yl)methanol
CID 63975154
Cyclohex-3-en-1-yl-(1-propylimidazol-2-yl)methanol
CID 63976693
Cyclohex-3-en-1-yl-(1-ethylimidazol-2-yl)methanol
CID 63976888
5,5-Dimethyl-3-(1-propylimidazol-2-yl)cyclohex-2-en-1-ol
CID 65174779
3-(1-Ethylimidazol-2-yl)-5,5-dimethylcyclohex-2-en-1-ol
CID 65174780

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-1-(2-methylimidazol-1-yl)oct-6-ene-2,3-diol?
The IUPAC name of 3,7-dimethyl-1-(2-methylimidazol-1-yl)oct-6-ene-2,3-diol (CID 139677203) is 3,7-dimethyl-1-(2-methylimidazol-1-yl)oct-6-ene-2,3-diol.
What is the SMILES notation for 3,7-dimethyl-1-(2-methylimidazol-1-yl)oct-6-ene-2,3-diol?
The canonical SMILES for 3,7-dimethyl-1-(2-methylimidazol-1-yl)oct-6-ene-2,3-diol is CC(C)=CCCC(C)(O)C(O)Cn1ccnc1C.
What is the InChIKey of 3,7-dimethyl-1-(2-methylimidazol-1-yl)oct-6-ene-2,3-diol?
The InChIKey is RGABAHDKUKXRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-11(2)6-5-7-14(4,18)13(17)10-16-9-8-15-12(16)3/h6,8-9,13,17-18H,5,7,10H2,1-4H3.
What are the key properties of 3,7-dimethyl-1-(2-methylimidazol-1-yl)oct-6-ene-2,3-diol?
3,7-dimethyl-1-(2-methylimidazol-1-yl)oct-6-ene-2,3-diol has a molecular weight of 252.36 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-1-(2-methylimidazol-1-yl)oct-6-ene-2,3-diol is sourced from PubChem (CID 139677203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).