methyl 2-pent-4-en-2-yloxyacetate

C8H14O3 — CID 10261347

IUPACmethyl 2-pent-4-en-2-yloxyacetate
SMILESC=CCC(C)OCC(=O)OC
InChIInChI=1S/C8H14O3/c1-4-5-7(2)11-6-8(9)10-3/h4,7H,1,5-6H2,2-3H3
InChIKeyYRFHZFAUESOSBV-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.14
Rot. Bonds5

About methyl 2-pent-4-en-2-yloxyacetate

methyl 2-pent-4-en-2-yloxyacetate (PubChem CID 10261347) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is methyl 2-pent-4-en-2-yloxyacetate.

Molecular Properties

Compound Namemethyl 2-pent-4-en-2-yloxyacetate
PubChem CID10261347
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Namemethyl 2-pent-4-en-2-yloxyacetate
SMILESC=CCC(C)OCC(=O)OC
InChIInChI=1S/C8H14O3/c1-4-5-7(2)11-6-8(9)10-3/h4,7H,1,5-6H2,2-3H3
InChIKeyYRFHZFAUESOSBV-UHFFFAOYSA-N
XLogP1.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.14
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 methyl 2-pent-4-en-2-yloxyacetate?
The IUPAC name of methyl 2-pent-4-en-2-yloxyacetate (CID 10261347) is methyl 2-pent-4-en-2-yloxyacetate.
What is the SMILES notation for methyl 2-pent-4-en-2-yloxyacetate?
The canonical SMILES for methyl 2-pent-4-en-2-yloxyacetate is C=CCC(C)OCC(=O)OC.
What is the InChIKey of methyl 2-pent-4-en-2-yloxyacetate?
The InChIKey is YRFHZFAUESOSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-4-5-7(2)11-6-8(9)10-3/h4,7H,1,5-6H2,2-3H3.
What are the key properties of methyl 2-pent-4-en-2-yloxyacetate?
methyl 2-pent-4-en-2-yloxyacetate has a molecular weight of 158.20 g/mol, XLogP of 1.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-pent-4-en-2-yloxyacetate is sourced from PubChem (CID 10261347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).