2-(2-prop-2-enoxyethoxy)ethyl acetate

C9H16O4 — CID 525147

IUPAC2-(2-prop-2-enoxyethoxy)ethyl acetate
SMILESC=CCOCCOCCOC(C)=O
InChIInChI=1S/C9H16O4/c1-3-4-11-5-6-12-7-8-13-9(2)10/h3H,1,4-8H2,2H3
InChIKeySIQNAPRKWIPLPE-UHFFFAOYSA-N
MW188.22 g/mol
LogP0.77
Rot. Bonds8

About 2-(2-prop-2-enoxyethoxy)ethyl acetate

2-(2-prop-2-enoxyethoxy)ethyl acetate (PubChem CID 525147) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 2-(2-prop-2-enoxyethoxy)ethyl acetate.

Molecular Properties

Compound Name2-(2-prop-2-enoxyethoxy)ethyl acetate
PubChem CID525147
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name2-(2-prop-2-enoxyethoxy)ethyl acetate
SMILESC=CCOCCOCCOC(C)=O
InChIInChI=1S/C9H16O4/c1-3-4-11-5-6-12-7-8-13-9(2)10/h3H,1,4-8H2,2H3
InChIKeySIQNAPRKWIPLPE-UHFFFAOYSA-N
XLogP0.77
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethyl acetate
CID 525183
2-acetyloxyethyl acetate;buta-1,3-diene
CID 87510767
2-(2-prop-1-en-2-yloxyethoxy)ethyl acetate
CID 161380709
carbonic acid;3-(2-prop-2-enoxyethoxy)prop-1-ene
CID 88663194
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]prop-1-ene
CID 58112303
2-prop-2-enoxyethyl 2,2-dimethylpropanoate
CID 89277080
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 91699049
2-(2-prop-2-enoxyethoxy)ethyl 3-hydroxy-2-(hydroxymethyl)-2-methylpropanoate
CID 58205656
2-(2-butoxyethoxy)ethyl acetate;2-butoxyethyl acetate
CID 158130160
2-[2-[2-[2-[2-[2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 6428192
3-(2-prop-2-enoxyethoxy)propanoic acid
CID 59615985
2-prop-2-enoxyethyl 2-tert-butyl-2,4-dimethylpent-3-enoate
CID 89235047

Frequently Asked Questions

What is the IUPAC name of 2-(2-prop-2-enoxyethoxy)ethyl acetate?
The IUPAC name of 2-(2-prop-2-enoxyethoxy)ethyl acetate (CID 525147) is 2-(2-prop-2-enoxyethoxy)ethyl acetate.
What is the SMILES notation for 2-(2-prop-2-enoxyethoxy)ethyl acetate?
The canonical SMILES for 2-(2-prop-2-enoxyethoxy)ethyl acetate is C=CCOCCOCCOC(C)=O.
What is the InChIKey of 2-(2-prop-2-enoxyethoxy)ethyl acetate?
The InChIKey is SIQNAPRKWIPLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-3-4-11-5-6-12-7-8-13-9(2)10/h3H,1,4-8H2,2H3.
What are the key properties of 2-(2-prop-2-enoxyethoxy)ethyl acetate?
2-(2-prop-2-enoxyethoxy)ethyl acetate has a molecular weight of 188.22 g/mol, XLogP of 0.77, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-prop-2-enoxyethoxy)ethyl acetate is sourced from PubChem (CID 525147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).