[(E)-but-2-enyl] 2-[2-[(E)-but-2-enoxy]-2-oxoethoxy]acetate

C12H18O5 — CID 134828193

IUPAC[(E)-but-2-enyl] 2-[2-[(E)-but-2-enoxy]-2-oxoethoxy]acetate
SMILESC/C=C/COC(=O)COCC(=O)OC/C=C/C
InChIInChI=1S/C12H18O5/c1-3-5-7-16-11(13)9-15-10-12(14)17-8-6-4-2/h3-6H,7-10H2,1-2H3/b5-3+,6-4+
InChIKeySNOOPRCCLLXACK-GGWOSOGESA-N
MW242.27 g/mol
LogP1.24
Rot. Bonds8

About [(E)-but-2-enyl] 2-[2-[(E)-but-2-enoxy]-2-oxoethoxy]acetate

[(E)-but-2-enyl] 2-[2-[(E)-but-2-enoxy]-2-oxoethoxy]acetate (PubChem CID 134828193) has the molecular formula C12H18O5 and a molecular weight of 242.27 g/mol. Its IUPAC name is [(E)-but-2-enyl] 2-[2-[(E)-but-2-enoxy]-2-oxoethoxy]acetate.

Molecular Properties

Compound Name[(E)-but-2-enyl] 2-[2-[(E)-but-2-enoxy]-2-oxoethoxy]acetate
PubChem CID134828193
Molecular FormulaC12H18O5
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name[(E)-but-2-enyl] 2-[2-[(E)-but-2-enoxy]-2-oxoethoxy]acetate
SMILESC/C=C/COC(=O)COCC(=O)OC/C=C/C
InChIInChI=1S/C12H18O5/c1-3-5-7-16-11(13)9-15-10-12(14)17-8-6-4-2/h3-6H,7-10H2,1-2H3/b5-3+,6-4+
InChIKeySNOOPRCCLLXACK-GGWOSOGESA-N
XLogP1.24
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 [(E)-but-2-enyl] 2-[2-[(E)-but-2-enoxy]-2-oxoethoxy]acetate?
The IUPAC name of [(E)-but-2-enyl] 2-[2-[(E)-but-2-enoxy]-2-oxoethoxy]acetate (CID 134828193) is [(E)-but-2-enyl] 2-[2-[(E)-but-2-enoxy]-2-oxoethoxy]acetate.
What is the SMILES notation for [(E)-but-2-enyl] 2-[2-[(E)-but-2-enoxy]-2-oxoethoxy]acetate?
The canonical SMILES for [(E)-but-2-enyl] 2-[2-[(E)-but-2-enoxy]-2-oxoethoxy]acetate is C/C=C/COC(=O)COCC(=O)OC/C=C/C.
What is the InChIKey of [(E)-but-2-enyl] 2-[2-[(E)-but-2-enoxy]-2-oxoethoxy]acetate?
The InChIKey is SNOOPRCCLLXACK-GGWOSOGESA-N. The full InChI is InChI=1S/C12H18O5/c1-3-5-7-16-11(13)9-15-10-12(14)17-8-6-4-2/h3-6H,7-10H2,1-2H3/b5-3+,6-4+.
What are the key properties of [(E)-but-2-enyl] 2-[2-[(E)-but-2-enoxy]-2-oxoethoxy]acetate?
[(E)-but-2-enyl] 2-[2-[(E)-but-2-enoxy]-2-oxoethoxy]acetate has a molecular weight of 242.27 g/mol, XLogP of 1.24, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-2-enyl] 2-[2-[(E)-but-2-enoxy]-2-oxoethoxy]acetate is sourced from PubChem (CID 134828193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).