ethyl 2-pent-1-en-2-yloxyacetate

C9H16O3 — CID 134932728

IUPACethyl 2-pent-1-en-2-yloxyacetate
SMILESC=C(CCC)OCC(=O)OCC
InChIInChI=1S/C9H16O3/c1-4-6-8(3)12-7-9(10)11-5-2/h3-7H2,1-2H3
InChIKeyLZBFDYIPLKAJIK-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.88
Rot. Bonds6

About ethyl 2-pent-1-en-2-yloxyacetate

ethyl 2-pent-1-en-2-yloxyacetate (PubChem CID 134932728) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is ethyl 2-pent-1-en-2-yloxyacetate.

Molecular Properties

Compound Nameethyl 2-pent-1-en-2-yloxyacetate
PubChem CID134932728
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Nameethyl 2-pent-1-en-2-yloxyacetate
SMILESC=C(CCC)OCC(=O)OCC
InChIInChI=1S/C9H16O3/c1-4-6-8(3)12-7-9(10)11-5-2/h3-7H2,1-2H3
InChIKeyLZBFDYIPLKAJIK-UHFFFAOYSA-N
XLogP1.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

Bis(pent-4-enyl) oxalate
CID 57313096
1-O-ethyl 2-O-(4-fluoropent-4-enyl) oxalate
CID 152820687
2-O-(4-fluoropent-4-enyl) 1-O-methyl oxalate
CID 155053269
Ethyl [(3-methylbut-1-en-2-yl)oxy]acetate
CID 15560825
Ethyl 2-but-1-en-2-yloxyacetate
CID 134932615
Ethyl 2-(4-methylpent-1-en-2-yloxy)acetate
CID 134985855
Buten-2-yl(3-methylbutoxy)acetate
CID 20839562
Ethyl 2-(4-penten-1-yloxy)acetate
CID 13005698
Prop-1-en-2-yl 2-(2-oxo-2-prop-1-en-2-yloxyethoxy)acetate
CID 57283558
Methyl 2-pent-4-enoxyacetate
CID 79113238
Methyl 2-pent-4-enoxypropanoate
CID 79115011
Tert-butyl 2-(3,3-dimethylpent-1-en-2-yloxy)acetate
CID 87159468

Frequently Asked Questions

What is the IUPAC name of ethyl 2-pent-1-en-2-yloxyacetate?
The IUPAC name of ethyl 2-pent-1-en-2-yloxyacetate (CID 134932728) is ethyl 2-pent-1-en-2-yloxyacetate.
What is the SMILES notation for ethyl 2-pent-1-en-2-yloxyacetate?
The canonical SMILES for ethyl 2-pent-1-en-2-yloxyacetate is C=C(CCC)OCC(=O)OCC.
What is the InChIKey of ethyl 2-pent-1-en-2-yloxyacetate?
The InChIKey is LZBFDYIPLKAJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-4-6-8(3)12-7-9(10)11-5-2/h3-7H2,1-2H3.
What are the key properties of ethyl 2-pent-1-en-2-yloxyacetate?
ethyl 2-pent-1-en-2-yloxyacetate has a molecular weight of 172.22 g/mol, XLogP of 1.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-pent-1-en-2-yloxyacetate is sourced from PubChem (CID 134932728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).