tert-butyl 2-but-3-en-2-yloxyacetate

C10H18O3 — CID 13005705

IUPACtert-butyl 2-but-3-en-2-yloxyacetate
SMILESC=CC(C)OCC(=O)OC(C)(C)C
InChIInChI=1S/C10H18O3/c1-6-8(2)12-7-9(11)13-10(3,4)5/h6,8H,1,7H2,2-5H3
InChIKeyQMWGEGASLIDMHC-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.92
Rot. Bonds4

About tert-butyl 2-but-3-en-2-yloxyacetate

tert-butyl 2-but-3-en-2-yloxyacetate (PubChem CID 13005705) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is tert-butyl 2-but-3-en-2-yloxyacetate.

Molecular Properties

Compound Nametert-butyl 2-but-3-en-2-yloxyacetate
PubChem CID13005705
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Nametert-butyl 2-but-3-en-2-yloxyacetate
SMILESC=CC(C)OCC(=O)OC(C)(C)C
InChIInChI=1S/C10H18O3/c1-6-8(2)12-7-9(11)13-10(3,4)5/h6,8H,1,7H2,2-5H3
InChIKeyQMWGEGASLIDMHC-UHFFFAOYSA-N
XLogP1.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-but-3-en-2-yloxyacetate?
The IUPAC name of tert-butyl 2-but-3-en-2-yloxyacetate (CID 13005705) is tert-butyl 2-but-3-en-2-yloxyacetate.
What is the SMILES notation for tert-butyl 2-but-3-en-2-yloxyacetate?
The canonical SMILES for tert-butyl 2-but-3-en-2-yloxyacetate is C=CC(C)OCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-but-3-en-2-yloxyacetate?
The InChIKey is QMWGEGASLIDMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-6-8(2)12-7-9(11)13-10(3,4)5/h6,8H,1,7H2,2-5H3.
What are the key properties of tert-butyl 2-but-3-en-2-yloxyacetate?
tert-butyl 2-but-3-en-2-yloxyacetate has a molecular weight of 186.25 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-but-3-en-2-yloxyacetate is sourced from PubChem (CID 13005705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).