5-methoxyhex-3-yn-2-ol

C7H12O2 — CID 164888523

IUPAC5-methoxyhex-3-yn-2-ol
SMILESCOC(C)C#CC(C)O
InChIInChI=1S/C7H12O2/c1-6(8)4-5-7(2)9-3/h6-8H,1-3H3
InChIKeyOBJGWVXUZNEVPJ-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.41
Rot. Bonds1

About 5-methoxyhex-3-yn-2-ol

5-methoxyhex-3-yn-2-ol (PubChem CID 164888523) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 5-methoxyhex-3-yn-2-ol.

Molecular Properties

Compound Name5-methoxyhex-3-yn-2-ol
PubChem CID164888523
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name5-methoxyhex-3-yn-2-ol
SMILESCOC(C)C#CC(C)O
InChIInChI=1S/C7H12O2/c1-6(8)4-5-7(2)9-3/h6-8H,1-3H3
InChIKeyOBJGWVXUZNEVPJ-UHFFFAOYSA-N
XLogP0.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Hexyne-2,5-diol
CID 18198
3-Hexyn-2-ol
CID 7990
Hept-4-yn-2-ol
CID 89225
3-Pentyn-2-ol
CID 141344
(4R)-hex-2-yne-1,4-diol
CID 127046915
(4S)-hex-2-yne-1,4-diol
CID 102369829
2-Pentyne-1,4-diol
CID 102518
2-Hexyne-1,4-diol
CID 10887866
Hept-2-yne-1,4-diol
CID 15709797
2-Propyn-1-ol compound with methyloxirane
CID 57349557
4-Hexyn-3-ol
CID 140751
Hex-2-yne-1,5-diol
CID 12567910

Frequently Asked Questions

What is the IUPAC name of 5-methoxyhex-3-yn-2-ol?
The IUPAC name of 5-methoxyhex-3-yn-2-ol (CID 164888523) is 5-methoxyhex-3-yn-2-ol.
What is the SMILES notation for 5-methoxyhex-3-yn-2-ol?
The canonical SMILES for 5-methoxyhex-3-yn-2-ol is COC(C)C#CC(C)O.
What is the InChIKey of 5-methoxyhex-3-yn-2-ol?
The InChIKey is OBJGWVXUZNEVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-6(8)4-5-7(2)9-3/h6-8H,1-3H3.
What are the key properties of 5-methoxyhex-3-yn-2-ol?
5-methoxyhex-3-yn-2-ol has a molecular weight of 128.17 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxyhex-3-yn-2-ol is sourced from PubChem (CID 164888523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).