prop-2-enyl 6-ethoxyoxane-2-carboxylate

C11H18O4 — CID 121224044

IUPACprop-2-enyl 6-ethoxyoxane-2-carboxylate
SMILESC=CCOC(=O)C1CCCC(OCC)O1
InChIInChI=1S/C11H18O4/c1-3-8-14-11(12)9-6-5-7-10(15-9)13-4-2/h3,9-10H,1,4-8H2,2H3
InChIKeyNGMIQWRVFXLLFI-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.65
Rot. Bonds5

About prop-2-enyl 6-ethoxyoxane-2-carboxylate

prop-2-enyl 6-ethoxyoxane-2-carboxylate (PubChem CID 121224044) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is prop-2-enyl 6-ethoxyoxane-2-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 6-ethoxyoxane-2-carboxylate
PubChem CID121224044
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Nameprop-2-enyl 6-ethoxyoxane-2-carboxylate
SMILESC=CCOC(=O)C1CCCC(OCC)O1
InChIInChI=1S/C11H18O4/c1-3-8-14-11(12)9-6-5-7-10(15-9)13-4-2/h3,9-10H,1,4-8H2,2H3
InChIKeyNGMIQWRVFXLLFI-UHFFFAOYSA-N
XLogP1.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 prop-2-enyl 6-ethoxyoxane-2-carboxylate?
The IUPAC name of prop-2-enyl 6-ethoxyoxane-2-carboxylate (CID 121224044) is prop-2-enyl 6-ethoxyoxane-2-carboxylate.
What is the SMILES notation for prop-2-enyl 6-ethoxyoxane-2-carboxylate?
The canonical SMILES for prop-2-enyl 6-ethoxyoxane-2-carboxylate is C=CCOC(=O)C1CCCC(OCC)O1.
What is the InChIKey of prop-2-enyl 6-ethoxyoxane-2-carboxylate?
The InChIKey is NGMIQWRVFXLLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-3-8-14-11(12)9-6-5-7-10(15-9)13-4-2/h3,9-10H,1,4-8H2,2H3.
What are the key properties of prop-2-enyl 6-ethoxyoxane-2-carboxylate?
prop-2-enyl 6-ethoxyoxane-2-carboxylate has a molecular weight of 214.26 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 6-ethoxyoxane-2-carboxylate is sourced from PubChem (CID 121224044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).