3,7,11-trimethyl-1-(2-methylimidazol-1-yl)dodeca-6,10-diene-2,3-diol

C19H32N2O2 — CID 139677218

IUPAC3,7,11-trimethyl-1-(2-methylimidazol-1-yl)dodeca-6,10-diene-2,3-diol
SMILESCC(C)=CCCC(C)=CCCC(C)(O)C(O)Cn1ccnc1C
InChIInChI=1S/C19H32N2O2/c1-15(2)8-6-9-16(3)10-7-11-19(5,23)18(22)14-21-13-12-20-17(21)4/h8,10,12-13,18,22-23H,6-7,9,11,14H2,1-5H3
InChIKeyHSBYLVJGAMXZLP-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.78
Rot. Bonds9

About 3,7,11-trimethyl-1-(2-methylimidazol-1-yl)dodeca-6,10-diene-2,3-diol

3,7,11-trimethyl-1-(2-methylimidazol-1-yl)dodeca-6,10-diene-2,3-diol (PubChem CID 139677218) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 3,7,11-trimethyl-1-(2-methylimidazol-1-yl)dodeca-6,10-diene-2,3-diol.

Molecular Properties

Compound Name3,7,11-trimethyl-1-(2-methylimidazol-1-yl)dodeca-6,10-diene-2,3-diol
PubChem CID139677218
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name3,7,11-trimethyl-1-(2-methylimidazol-1-yl)dodeca-6,10-diene-2,3-diol
SMILESCC(C)=CCCC(C)=CCCC(C)(O)C(O)Cn1ccnc1C
InChIInChI=1S/C19H32N2O2/c1-15(2)8-6-9-16(3)10-7-11-19(5,23)18(22)14-21-13-12-20-17(21)4/h8,10,12-13,18,22-23H,6-7,9,11,14H2,1-5H3
InChIKeyHSBYLVJGAMXZLP-UHFFFAOYSA-N
XLogP3.78
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(6Z,9Z,12Z)-1-imidazol-1-yloctadeca-6,9,12-trien-1-ol
CID 71031549
3,7,11-Trimethyl-1-(2-methylimidazol-1-yl)dodecane-2,3-diol
CID 85588825
1-(2-Ethylimidazol-1-yl)-3,7,11-trimethyldodecane-2,3-diol
CID 85588830
3,7,11-Trimethyl-1-(2-undecylimidazol-1-yl)dodecane-2,3-diol
CID 85588834
1-[2-(Diethylaminomethyl)imidazol-1-yl]-3,7,11-trimethyldodecane-2,3-diol
CID 139677200
3,7-Dimethyl-1-(2-methylimidazol-1-yl)oct-6-ene-2,3-diol
CID 139677203
1-[2-[(Dimethylamino)methyl]imidazol-1-yl]-3,7,11-trimethyldodecane-2,3-diol
CID 139677210
3,7,11,15-Tetramethyl-1-(2-methylimidazol-1-yl)hexadecane-2,3-diol
CID 139677213
1-[2-(Hydroxymethyl)imidazol-1-yl]-3,7,11-trimethyldodecane-2,3-diol
CID 139677219
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

Frequently Asked Questions

What is the IUPAC name of 3,7,11-trimethyl-1-(2-methylimidazol-1-yl)dodeca-6,10-diene-2,3-diol?
The IUPAC name of 3,7,11-trimethyl-1-(2-methylimidazol-1-yl)dodeca-6,10-diene-2,3-diol (CID 139677218) is 3,7,11-trimethyl-1-(2-methylimidazol-1-yl)dodeca-6,10-diene-2,3-diol.
What is the SMILES notation for 3,7,11-trimethyl-1-(2-methylimidazol-1-yl)dodeca-6,10-diene-2,3-diol?
The canonical SMILES for 3,7,11-trimethyl-1-(2-methylimidazol-1-yl)dodeca-6,10-diene-2,3-diol is CC(C)=CCCC(C)=CCCC(C)(O)C(O)Cn1ccnc1C.
What is the InChIKey of 3,7,11-trimethyl-1-(2-methylimidazol-1-yl)dodeca-6,10-diene-2,3-diol?
The InChIKey is HSBYLVJGAMXZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-15(2)8-6-9-16(3)10-7-11-19(5,23)18(22)14-21-13-12-20-17(21)4/h8,10,12-13,18,22-23H,6-7,9,11,14H2,1-5H3.
What are the key properties of 3,7,11-trimethyl-1-(2-methylimidazol-1-yl)dodeca-6,10-diene-2,3-diol?
3,7,11-trimethyl-1-(2-methylimidazol-1-yl)dodeca-6,10-diene-2,3-diol has a molecular weight of 320.48 g/mol, XLogP of 3.78, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11-trimethyl-1-(2-methylimidazol-1-yl)dodeca-6,10-diene-2,3-diol is sourced from PubChem (CID 139677218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).