3-methyl-1-(1-methylimidazol-2-yl)hept-6-en-3-ol

C12H20N2O — CID 114529304

IUPAC3-methyl-1-(1-methylimidazol-2-yl)hept-6-en-3-ol
SMILESC=CCCC(C)(O)CCc1nccn1C
InChIInChI=1S/C12H20N2O/c1-4-5-7-12(2,15)8-6-11-13-9-10-14(11)3/h4,9-10,15H,1,5-8H2,2-3H3
InChIKeyHUMKTVDMPIHOMY-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.07
Rot. Bonds6

About 3-methyl-1-(1-methylimidazol-2-yl)hept-6-en-3-ol

3-methyl-1-(1-methylimidazol-2-yl)hept-6-en-3-ol (PubChem CID 114529304) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-methyl-1-(1-methylimidazol-2-yl)hept-6-en-3-ol.

Molecular Properties

Compound Name3-methyl-1-(1-methylimidazol-2-yl)hept-6-en-3-ol
PubChem CID114529304
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name3-methyl-1-(1-methylimidazol-2-yl)hept-6-en-3-ol
SMILESC=CCCC(C)(O)CCc1nccn1C
InChIInChI=1S/C12H20N2O/c1-4-5-7-12(2,15)8-6-11-13-9-10-14(11)3/h4,9-10,15H,1,5-8H2,2-3H3
InChIKeyHUMKTVDMPIHOMY-UHFFFAOYSA-N
XLogP2.07
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(dimethylamino)methyl]-1-[(1-propyl-1H-imidazol-2-yl)methyl]-4-azepanol
CID 56901348
3-(1-Methylimidazol-2-yl)pentan-3-ol
CID 63975988
1-(1-Pentylimidazol-2-yl)cyclohexan-1-ol
CID 102490462
3-(1-Octan-2-ylimidazol-2-yl)pentan-3-ol
CID 134859017
1-(1-Methyl-1H-imidazol-2-yl)cyclohexan-1-ol
CID 49962356
3-(1-Pentylimidazol-2-yl)pentan-3-ol
CID 102490460
Dicyclopropyl-(1-pentylimidazol-2-yl)methanol
CID 102490461
6,8-Di-t-butyl-8-hydroxy-1-methyl-7,8-dihydro-1h-imidazo[1,2-a]pyridin-4-ium bromide
CID 129876226
3,7-Dimethyl-1-(1-methylimidazol-2-yl)oct-6-en-1-yn-3-ol
CID 134837468
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-4-methylazepan-4-ol
CID 107407909
6,6,6-Trifluoro-2-methyl-1-(1-methylimidazol-2-yl)hexan-2-ol
CID 113533950
7,7,7-Trifluoro-3-methyl-1-(1-methylimidazol-2-yl)heptan-3-ol
CID 114529326

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-methylimidazol-2-yl)hept-6-en-3-ol?
The IUPAC name of 3-methyl-1-(1-methylimidazol-2-yl)hept-6-en-3-ol (CID 114529304) is 3-methyl-1-(1-methylimidazol-2-yl)hept-6-en-3-ol.
What is the SMILES notation for 3-methyl-1-(1-methylimidazol-2-yl)hept-6-en-3-ol?
The canonical SMILES for 3-methyl-1-(1-methylimidazol-2-yl)hept-6-en-3-ol is C=CCCC(C)(O)CCc1nccn1C.
What is the InChIKey of 3-methyl-1-(1-methylimidazol-2-yl)hept-6-en-3-ol?
The InChIKey is HUMKTVDMPIHOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-5-7-12(2,15)8-6-11-13-9-10-14(11)3/h4,9-10,15H,1,5-8H2,2-3H3.
What are the key properties of 3-methyl-1-(1-methylimidazol-2-yl)hept-6-en-3-ol?
3-methyl-1-(1-methylimidazol-2-yl)hept-6-en-3-ol has a molecular weight of 208.30 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-methylimidazol-2-yl)hept-6-en-3-ol is sourced from PubChem (CID 114529304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).