4-methoxy-2-methylbut-3-yn-2-ol

C6H10O2 — CID 13432144

IUPAC4-methoxy-2-methylbut-3-yn-2-ol
SMILESCOC#CC(C)(C)O
InChIInChI=1S/C6H10O2/c1-6(2,7)4-5-8-3/h7H,1-3H3
InChIKeyXEJBQQNWGZRSOT-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.36
Rot. Bonds

About 4-methoxy-2-methylbut-3-yn-2-ol

4-methoxy-2-methylbut-3-yn-2-ol (PubChem CID 13432144) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 4-methoxy-2-methylbut-3-yn-2-ol.

Molecular Properties

Compound Name4-methoxy-2-methylbut-3-yn-2-ol
PubChem CID13432144
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name4-methoxy-2-methylbut-3-yn-2-ol
SMILESCOC#CC(C)(C)O
InChIInChI=1S/C6H10O2/c1-6(2,7)4-5-8-3/h7H,1-3H3
InChIKeyXEJBQQNWGZRSOT-UHFFFAOYSA-N
XLogP0.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methylbut-3-yn-2-ol?
The IUPAC name of 4-methoxy-2-methylbut-3-yn-2-ol (CID 13432144) is 4-methoxy-2-methylbut-3-yn-2-ol.
What is the SMILES notation for 4-methoxy-2-methylbut-3-yn-2-ol?
The canonical SMILES for 4-methoxy-2-methylbut-3-yn-2-ol is COC#CC(C)(C)O.
What is the InChIKey of 4-methoxy-2-methylbut-3-yn-2-ol?
The InChIKey is XEJBQQNWGZRSOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-6(2,7)4-5-8-3/h7H,1-3H3.
What are the key properties of 4-methoxy-2-methylbut-3-yn-2-ol?
4-methoxy-2-methylbut-3-yn-2-ol has a molecular weight of 114.14 g/mol, XLogP of 0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methylbut-3-yn-2-ol is sourced from PubChem (CID 13432144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).