3,7-dimethyl-1-(1-methylimidazol-2-yl)oct-6-en-3-ol

C14H24N2O — CID 102307375

IUPAC3,7-dimethyl-1-(1-methylimidazol-2-yl)oct-6-en-3-ol
SMILESCC(C)=CCCC(C)(O)CCc1nccn1C
InChIInChI=1S/C14H24N2O/c1-12(2)6-5-8-14(3,17)9-7-13-15-10-11-16(13)4/h6,10-11,17H,5,7-9H2,1-4H3
InChIKeyGDBXQKGNLPELBN-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.85
Rot. Bonds6

About 3,7-dimethyl-1-(1-methylimidazol-2-yl)oct-6-en-3-ol

3,7-dimethyl-1-(1-methylimidazol-2-yl)oct-6-en-3-ol (PubChem CID 102307375) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 3,7-dimethyl-1-(1-methylimidazol-2-yl)oct-6-en-3-ol.

Molecular Properties

Compound Name3,7-dimethyl-1-(1-methylimidazol-2-yl)oct-6-en-3-ol
PubChem CID102307375
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name3,7-dimethyl-1-(1-methylimidazol-2-yl)oct-6-en-3-ol
SMILESCC(C)=CCCC(C)(O)CCc1nccn1C
InChIInChI=1S/C14H24N2O/c1-12(2)6-5-8-14(3,17)9-7-13-15-10-11-16(13)4/h6,10-11,17H,5,7-9H2,1-4H3
InChIKeyGDBXQKGNLPELBN-UHFFFAOYSA-N
XLogP2.85
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.85
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

1-(3,7-Dimethyloct-6-en-1-yl)-1H-imidazole
CID 71367182
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CID 173954894
(4S)-6-methyl-4-(1-methylimidazol-2-yl)hept-5-en-2-one
CID 102311261
3,7-Dimethyl-1-(1-methylimidazol-2-yl)oct-6-en-1-yn-3-ol
CID 134837468
7,7,7-Trifluoro-3-methyl-1-(1-methylimidazol-2-yl)heptan-3-ol
CID 114529326
2-(2,6-Dimethylhept-5-enyl)-1-(trifluoromethyl)imidazole
CID 151519521
1-[2-(1-Methyl-1H-imidazol-2-yl)prop-2-en-1-yl]cyclohexan-1-ol
CID 15123327
9-methyl-6,9,10,11-tetrahydro-5H-imidazo[1,2-a]azonine
CID 68199384
1-(2-Heptadec-8-enylimidazol-1-yl)ethanol
CID 70134311
2-Cyclohex-3-en-1-yl-1-methylimidazole
CID 89791874
2-Amino-4-imidazol-1-yl-1-methylcyclohex-3-en-1-ol;hydrochloride
CID 117763572
2-Amino-4-imidazol-1-yl-1-methylcyclohex-3-en-1-ol
CID 117763573

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-1-(1-methylimidazol-2-yl)oct-6-en-3-ol?
The IUPAC name of 3,7-dimethyl-1-(1-methylimidazol-2-yl)oct-6-en-3-ol (CID 102307375) is 3,7-dimethyl-1-(1-methylimidazol-2-yl)oct-6-en-3-ol.
What is the SMILES notation for 3,7-dimethyl-1-(1-methylimidazol-2-yl)oct-6-en-3-ol?
The canonical SMILES for 3,7-dimethyl-1-(1-methylimidazol-2-yl)oct-6-en-3-ol is CC(C)=CCCC(C)(O)CCc1nccn1C.
What is the InChIKey of 3,7-dimethyl-1-(1-methylimidazol-2-yl)oct-6-en-3-ol?
The InChIKey is GDBXQKGNLPELBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-12(2)6-5-8-14(3,17)9-7-13-15-10-11-16(13)4/h6,10-11,17H,5,7-9H2,1-4H3.
What are the key properties of 3,7-dimethyl-1-(1-methylimidazol-2-yl)oct-6-en-3-ol?
3,7-dimethyl-1-(1-methylimidazol-2-yl)oct-6-en-3-ol has a molecular weight of 236.36 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-1-(1-methylimidazol-2-yl)oct-6-en-3-ol is sourced from PubChem (CID 102307375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).