tert-butyl 2-pent-4-enoxyacetate

C11H20O3 — CID 15072345

IUPACtert-butyl 2-pent-4-enoxyacetate
SMILESC=CCCCOCC(=O)OC(C)(C)C
InChIInChI=1S/C11H20O3/c1-5-6-7-8-13-9-10(12)14-11(2,3)4/h5H,1,6-9H2,2-4H3
InChIKeyDIQGXBBYBXIJKL-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.31
Rot. Bonds6

About tert-butyl 2-pent-4-enoxyacetate

tert-butyl 2-pent-4-enoxyacetate (PubChem CID 15072345) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is tert-butyl 2-pent-4-enoxyacetate.

Molecular Properties

Compound Nametert-butyl 2-pent-4-enoxyacetate
PubChem CID15072345
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Nametert-butyl 2-pent-4-enoxyacetate
SMILESC=CCCCOCC(=O)OC(C)(C)C
InChIInChI=1S/C11H20O3/c1-5-6-7-8-13-9-10(12)14-11(2,3)4/h5H,1,6-9H2,2-4H3
InChIKeyDIQGXBBYBXIJKL-UHFFFAOYSA-N
XLogP2.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-pent-4-enoxyacetate?
The IUPAC name of tert-butyl 2-pent-4-enoxyacetate (CID 15072345) is tert-butyl 2-pent-4-enoxyacetate.
What is the SMILES notation for tert-butyl 2-pent-4-enoxyacetate?
The canonical SMILES for tert-butyl 2-pent-4-enoxyacetate is C=CCCCOCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-pent-4-enoxyacetate?
The InChIKey is DIQGXBBYBXIJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-5-6-7-8-13-9-10(12)14-11(2,3)4/h5H,1,6-9H2,2-4H3.
What are the key properties of tert-butyl 2-pent-4-enoxyacetate?
tert-butyl 2-pent-4-enoxyacetate has a molecular weight of 200.28 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-pent-4-enoxyacetate is sourced from PubChem (CID 15072345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).