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

C9H16O4 — CID 161380709

IUPAC2-(2-prop-1-en-2-yloxyethoxy)ethyl acetate
SMILESC=C(C)OCCOCCOC(C)=O
InChIInChI=1S/C9H16O4/c1-8(2)12-6-4-11-5-7-13-9(3)10/h1,4-7H2,2-3H3
InChIKeyVRRKUQUWTJBANK-UHFFFAOYSA-N
MW188.22 g/mol
LogP1.12
Rot. Bonds7

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

2-(2-prop-1-en-2-yloxyethoxy)ethyl acetate (PubChem CID 161380709) has the molecular formula C9H16O4 and a molecular weight of 188.22 g/mol. Its IUPAC name is 2-(2-prop-1-en-2-yloxyethoxy)ethyl acetate.

Molecular Properties

Compound Name2-(2-prop-1-en-2-yloxyethoxy)ethyl acetate
PubChem CID161380709
Molecular FormulaC9H16O4
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name2-(2-prop-1-en-2-yloxyethoxy)ethyl acetate
SMILESC=C(C)OCCOCCOC(C)=O
InChIInChI=1S/C9H16O4/c1-8(2)12-6-4-11-5-7-13-9(3)10/h1,4-7H2,2-3H3
InChIKeyVRRKUQUWTJBANK-UHFFFAOYSA-N
XLogP1.12
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 51.12
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-prop-1-en-2-yloxyethoxy)ethyl acetate?
The IUPAC name of 2-(2-prop-1-en-2-yloxyethoxy)ethyl acetate (CID 161380709) is 2-(2-prop-1-en-2-yloxyethoxy)ethyl acetate.
What is the SMILES notation for 2-(2-prop-1-en-2-yloxyethoxy)ethyl acetate?
The canonical SMILES for 2-(2-prop-1-en-2-yloxyethoxy)ethyl acetate is C=C(C)OCCOCCOC(C)=O.
What is the InChIKey of 2-(2-prop-1-en-2-yloxyethoxy)ethyl acetate?
The InChIKey is VRRKUQUWTJBANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O4/c1-8(2)12-6-4-11-5-7-13-9(3)10/h1,4-7H2,2-3H3.
What are the key properties of 2-(2-prop-1-en-2-yloxyethoxy)ethyl acetate?
2-(2-prop-1-en-2-yloxyethoxy)ethyl acetate has a molecular weight of 188.22 g/mol, XLogP of 1.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-prop-1-en-2-yloxyethoxy)ethyl acetate is sourced from PubChem (CID 161380709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).