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

C14H20N2O — CID 134837468

IUPAC3,7-dimethyl-1-(1-methylimidazol-2-yl)oct-6-en-1-yn-3-ol
SMILESCC(C)=CCCC(C)(O)C#Cc1nccn1C
InChIInChI=1S/C14H20N2O/c1-12(2)6-5-8-14(3,17)9-7-13-15-10-11-16(13)4/h6,10-11,17H,5,8H2,1-4H3
InChIKeyRQNFOEDDCPSDBK-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.27
Rot. Bonds3

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

3,7-dimethyl-1-(1-methylimidazol-2-yl)oct-6-en-1-yn-3-ol (PubChem CID 134837468) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3,7-dimethyl-1-(1-methylimidazol-2-yl)oct-6-en-1-yn-3-ol.

Molecular Properties

Compound Name3,7-dimethyl-1-(1-methylimidazol-2-yl)oct-6-en-1-yn-3-ol
PubChem CID134837468
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3,7-dimethyl-1-(1-methylimidazol-2-yl)oct-6-en-1-yn-3-ol
SMILESCC(C)=CCCC(C)(O)C#Cc1nccn1C
InChIInChI=1S/C14H20N2O/c1-12(2)6-5-8-14(3,17)9-7-13-15-10-11-16(13)4/h6,10-11,17H,5,8H2,1-4H3
InChIKeyRQNFOEDDCPSDBK-UHFFFAOYSA-N
XLogP2.27
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4,8-Dimethylnon-7-en-1-ynyl)-1-methylimidazole
CID 134858875
(E)-8-imidazol-1-yl-2-methyloct-4-en-1-ol
CID 175867863
3,7-Dimethyl-1-(1-methylimidazol-2-yl)oct-6-en-3-ol
CID 102307375
1-(1-Butyl-3-methylimidazol-3-ium-2-yl)-3,7-dimethyloct-6-en-3-ol
CID 102307378
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CID 104656156
2-(1-Ethylimidazol-2-yl)hex-5-en-2-ol
CID 104656159
1-(1-Ethylimidazol-2-yl)-2-methylhex-5-en-2-ol
CID 104656297
2-(1-Methylimidazol-2-yl)hex-5-en-2-ol
CID 104656393
2-Methyl-1-(1-methylimidazol-2-yl)hex-5-en-2-ol
CID 104656401
2-Methyl-1-(1-propylimidazol-2-yl)hex-5-en-2-ol
CID 104656423
3-Methyl-1-(1-methylimidazol-2-yl)hept-6-en-3-ol
CID 114529304
1-[(1-Ethylimidazol-2-yl)methyl]cyclohex-2-en-1-ol
CID 116005114

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-1-(1-methylimidazol-2-yl)oct-6-en-1-yn-3-ol?
The IUPAC name of 3,7-dimethyl-1-(1-methylimidazol-2-yl)oct-6-en-1-yn-3-ol (CID 134837468) is 3,7-dimethyl-1-(1-methylimidazol-2-yl)oct-6-en-1-yn-3-ol.
What is the SMILES notation for 3,7-dimethyl-1-(1-methylimidazol-2-yl)oct-6-en-1-yn-3-ol?
The canonical SMILES for 3,7-dimethyl-1-(1-methylimidazol-2-yl)oct-6-en-1-yn-3-ol is CC(C)=CCCC(C)(O)C#Cc1nccn1C.
What is the InChIKey of 3,7-dimethyl-1-(1-methylimidazol-2-yl)oct-6-en-1-yn-3-ol?
The InChIKey is RQNFOEDDCPSDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-12(2)6-5-8-14(3,17)9-7-13-15-10-11-16(13)4/h6,10-11,17H,5,8H2,1-4H3.
What are the key properties of 3,7-dimethyl-1-(1-methylimidazol-2-yl)oct-6-en-1-yn-3-ol?
3,7-dimethyl-1-(1-methylimidazol-2-yl)oct-6-en-1-yn-3-ol has a molecular weight of 232.33 g/mol, XLogP of 2.27, 3 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-1-yn-3-ol is sourced from PubChem (CID 134837468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).