[(1Z)-1-[2-oxo-4-(2-oxoethyl)oxolan-3-ylidene]ethyl] acetate

C10H12O5 — CID 138982628

IUPAC[(1Z)-1-[2-oxo-4-(2-oxoethyl)oxolan-3-ylidene]ethyl] acetate
SMILESCC(=O)O/C(C)=C1\C(=O)OCC1CC=O
InChIInChI=1S/C10H12O5/c1-6(15-7(2)12)9-8(3-4-11)5-14-10(9)13/h4,8H,3,5H2,1-2H3/b9-6-
InChIKeyKVYBCVUVZULIAZ-TWGQIWQCSA-N
MW212.20 g/mol
LogP0.59
Rot. Bonds3

About [(1Z)-1-[2-oxo-4-(2-oxoethyl)oxolan-3-ylidene]ethyl] acetate

[(1Z)-1-[2-oxo-4-(2-oxoethyl)oxolan-3-ylidene]ethyl] acetate (PubChem CID 138982628) has the molecular formula C10H12O5 and a molecular weight of 212.20 g/mol. Its IUPAC name is [(1Z)-1-[2-oxo-4-(2-oxoethyl)oxolan-3-ylidene]ethyl] acetate.

Molecular Properties

Compound Name[(1Z)-1-[2-oxo-4-(2-oxoethyl)oxolan-3-ylidene]ethyl] acetate
PubChem CID138982628
Molecular FormulaC10H12O5
Molecular Weight212.20 g/mol
Exact Mass212.07
IUPAC Name[(1Z)-1-[2-oxo-4-(2-oxoethyl)oxolan-3-ylidene]ethyl] acetate
SMILESCC(=O)O/C(C)=C1\C(=O)OCC1CC=O
InChIInChI=1S/C10H12O5/c1-6(15-7(2)12)9-8(3-4-11)5-14-10(9)13/h4,8H,3,5H2,1-2H3/b9-6-
InChIKeyKVYBCVUVZULIAZ-TWGQIWQCSA-N
XLogP0.59
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[(4Z)-4-(1-bromoethylidene)-5-oxooxolan-3-yl]acetaldehyde
CID 11020786
(4R)-3-Ethylidene-4-(2-oxoethyl)tetrahydrofuran-2-one
CID 10080588
Ethyl 4,6-dimethyl-2-oxo-3,4-dihydro-2h-pyran-5-carboxylate
CID 223384
[(1Z)-1-[4-(2-oxoethyl)oxolan-3-ylidene]octyl] acetate
CID 11231379
methyl 5-acetyloxy-3-(2-oxoethyl)-3,6-dihydro-2H-pyran-4-carboxylate
CID 11299486
[(1Z)-1-[4-(2-oxoethyl)oxolan-3-ylidene]ethyl] acetate
CID 11367618
2-[(4Z)-4-(1-chloroethylidene)-5-oxooxolan-3-yl]acetaldehyde
CID 15811727
(3E)-3-[(4R,5S)-4,5-dimethyloxolan-2-ylidene]oxolan-2-one
CID 11412743
(3E)-3-(1-methoxypropylidene)-5-methyloxolan-2-one
CID 14791702
methyl (5RS) 2-methoxy-5-formyl-1-cyclopentene-carboxylate
CID 13194899
3-(4-Methyl-2,5-dioxofuran-3-yl)propanal
CID 86030869
Methyl 2-formyl-5-methyl-2,3-dihydrofuran-4-carboxylate
CID 89285740

Frequently Asked Questions

What is the IUPAC name of [(1Z)-1-[2-oxo-4-(2-oxoethyl)oxolan-3-ylidene]ethyl] acetate?
The IUPAC name of [(1Z)-1-[2-oxo-4-(2-oxoethyl)oxolan-3-ylidene]ethyl] acetate (CID 138982628) is [(1Z)-1-[2-oxo-4-(2-oxoethyl)oxolan-3-ylidene]ethyl] acetate.
What is the SMILES notation for [(1Z)-1-[2-oxo-4-(2-oxoethyl)oxolan-3-ylidene]ethyl] acetate?
The canonical SMILES for [(1Z)-1-[2-oxo-4-(2-oxoethyl)oxolan-3-ylidene]ethyl] acetate is CC(=O)O/C(C)=C1\C(=O)OCC1CC=O.
What is the InChIKey of [(1Z)-1-[2-oxo-4-(2-oxoethyl)oxolan-3-ylidene]ethyl] acetate?
The InChIKey is KVYBCVUVZULIAZ-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H12O5/c1-6(15-7(2)12)9-8(3-4-11)5-14-10(9)13/h4,8H,3,5H2,1-2H3/b9-6-.
What are the key properties of [(1Z)-1-[2-oxo-4-(2-oxoethyl)oxolan-3-ylidene]ethyl] acetate?
[(1Z)-1-[2-oxo-4-(2-oxoethyl)oxolan-3-ylidene]ethyl] acetate has a molecular weight of 212.20 g/mol, XLogP of 0.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z)-1-[2-oxo-4-(2-oxoethyl)oxolan-3-ylidene]ethyl] acetate is sourced from PubChem (CID 138982628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).