2-(prop-1-en-2-yloxymethoxy)ethyl acetate

C8H14O4 — CID 91012087

IUPAC2-(prop-1-en-2-yloxymethoxy)ethyl acetate
SMILESC=C(C)OCOCCOC(C)=O
InChIInChI=1S/C8H14O4/c1-7(2)12-6-10-4-5-11-8(3)9/h1,4-6H2,2-3H3
InChIKeyUUBKRLAZCFYARL-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.07
Rot. Bonds6

About 2-(prop-1-en-2-yloxymethoxy)ethyl acetate

2-(prop-1-en-2-yloxymethoxy)ethyl acetate (PubChem CID 91012087) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-(prop-1-en-2-yloxymethoxy)ethyl acetate.

Molecular Properties

Compound Name2-(prop-1-en-2-yloxymethoxy)ethyl acetate
PubChem CID91012087
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name2-(prop-1-en-2-yloxymethoxy)ethyl acetate
SMILESC=C(C)OCOCCOC(C)=O
InChIInChI=1S/C8H14O4/c1-7(2)12-6-10-4-5-11-8(3)9/h1,4-6H2,2-3H3
InChIKeyUUBKRLAZCFYARL-UHFFFAOYSA-N
XLogP1.07
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(prop-1-en-2-yloxymethoxy)ethyl acetate?
The IUPAC name of 2-(prop-1-en-2-yloxymethoxy)ethyl acetate (CID 91012087) is 2-(prop-1-en-2-yloxymethoxy)ethyl acetate.
What is the SMILES notation for 2-(prop-1-en-2-yloxymethoxy)ethyl acetate?
The canonical SMILES for 2-(prop-1-en-2-yloxymethoxy)ethyl acetate is C=C(C)OCOCCOC(C)=O.
What is the InChIKey of 2-(prop-1-en-2-yloxymethoxy)ethyl acetate?
The InChIKey is UUBKRLAZCFYARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-7(2)12-6-10-4-5-11-8(3)9/h1,4-6H2,2-3H3.
What are the key properties of 2-(prop-1-en-2-yloxymethoxy)ethyl acetate?
2-(prop-1-en-2-yloxymethoxy)ethyl acetate has a molecular weight of 174.20 g/mol, XLogP of 1.07, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-1-en-2-yloxymethoxy)ethyl acetate is sourced from PubChem (CID 91012087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).