2-(2-methylbut-3-yn-2-yloxy)acetate

C7H9O3- — CID 23497494

IUPAC2-(2-methylbut-3-yn-2-yloxy)acetate
SMILESC#CC(C)(C)OCC(=O)[O-]
InChIInChI=1S/C7H10O3/c1-4-7(2,3)10-5-6(8)9/h1H,5H2,2-3H3,(H,8,9)/p-1
InChIKeyVBOSUGFUHYTIHL-UHFFFAOYSA-M
MW141.15 g/mol
LogP-0.84
Rot. Bonds3

About 2-(2-methylbut-3-yn-2-yloxy)acetate

2-(2-methylbut-3-yn-2-yloxy)acetate (PubChem CID 23497494) has the molecular formula C7H9O3- and a molecular weight of 141.15 g/mol. Its IUPAC name is 2-(2-methylbut-3-yn-2-yloxy)acetate.

Molecular Properties

Compound Name2-(2-methylbut-3-yn-2-yloxy)acetate
PubChem CID23497494
Molecular FormulaC7H9O3-
Molecular Weight141.15 g/mol
Exact Mass141.06
IUPAC Name2-(2-methylbut-3-yn-2-yloxy)acetate
SMILESC#CC(C)(C)OCC(=O)[O-]
InChIInChI=1S/C7H10O3/c1-4-7(2,3)10-5-6(8)9/h1H,5H2,2-3H3,(H,8,9)/p-1
InChIKeyVBOSUGFUHYTIHL-UHFFFAOYSA-M
XLogP-0.84
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.15
LogP ≤ 5-0.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-3-prop-2-ynoxybut-1-yne
CID 12813397
3-(2-methylbut-3-yn-2-yloxy)propane-1-sulfonic acid
CID 175801605
3-(2-iodoethoxy)-3-methylbut-1-yne
CID 102386751
2-methylbut-3-yn-2-yl 2,2-dimethylpropanoate
CID 11557353
2-methylbut-3-yn-2-yl prop-2-enyl carbonate
CID 23169803
dimethyl-(2-methylbut-3-yn-2-yloxy)-(2-methylbut-3-yn-2-yloxymethyl)silane
CID 175388588
barium(2+);bis(2-methoxyacetate)
CID 88657250
methyl 2-methylbut-3-yn-2-yl hydrogen phosphate
CID 123497642
disodium;ethanol;ethyl 2-(trifluoromethoxy)acetate;2-(trifluoromethoxy)acetate;hydroxide
CID 160631188
dioxouranium(2+);bis(2-ethoxyacetate)
CID 19374008
magnesium 2-(carboxylatomethoxy)acetate
CID 158181125
2-methanidyloxyacetate;methanolate
CID 90717089

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbut-3-yn-2-yloxy)acetate?
The IUPAC name of 2-(2-methylbut-3-yn-2-yloxy)acetate (CID 23497494) is 2-(2-methylbut-3-yn-2-yloxy)acetate.
What is the SMILES notation for 2-(2-methylbut-3-yn-2-yloxy)acetate?
The canonical SMILES for 2-(2-methylbut-3-yn-2-yloxy)acetate is C#CC(C)(C)OCC(=O)[O-].
What is the InChIKey of 2-(2-methylbut-3-yn-2-yloxy)acetate?
The InChIKey is VBOSUGFUHYTIHL-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H10O3/c1-4-7(2,3)10-5-6(8)9/h1H,5H2,2-3H3,(H,8,9)/p-1.
What are the key properties of 2-(2-methylbut-3-yn-2-yloxy)acetate?
2-(2-methylbut-3-yn-2-yloxy)acetate has a molecular weight of 141.15 g/mol, XLogP of -0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbut-3-yn-2-yloxy)acetate is sourced from PubChem (CID 23497494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).