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

C10H14O4 — CID 11367618

IUPAC[(1Z)-1-[4-(2-oxoethyl)oxolan-3-ylidene]ethyl] acetate
SMILESCC(=O)O/C(C)=C1\COCC1CC=O
InChIInChI=1S/C10H14O4/c1-7(14-8(2)12)10-6-13-5-9(10)3-4-11/h4,9H,3,5-6H2,1-2H3/b10-7+
InChIKeyPTDIUPGMXDUTJR-JXMROGBWSA-N
MW198.22 g/mol
LogP1.06
Rot. Bonds3

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

[(1Z)-1-[4-(2-oxoethyl)oxolan-3-ylidene]ethyl] acetate (PubChem CID 11367618) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is [(1Z)-1-[4-(2-oxoethyl)oxolan-3-ylidene]ethyl] acetate.

Molecular Properties

Compound Name[(1Z)-1-[4-(2-oxoethyl)oxolan-3-ylidene]ethyl] acetate
PubChem CID11367618
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name[(1Z)-1-[4-(2-oxoethyl)oxolan-3-ylidene]ethyl] acetate
SMILESCC(=O)O/C(C)=C1\COCC1CC=O
InChIInChI=1S/C10H14O4/c1-7(14-8(2)12)10-6-13-5-9(10)3-4-11/h4,9H,3,5-6H2,1-2H3/b10-7+
InChIKeyPTDIUPGMXDUTJR-JXMROGBWSA-N
XLogP1.06
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(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-[2-oxo-4-(2-oxoethyl)oxolan-3-ylidene]ethyl] acetate
CID 138982628
[(1Z)-1-[4-(2-oxoethyl)oxolan-3-ylidene]hexyl] acetate
CID 11149482
ethyl (2E)-2-(3-ethyloxolan-2-ylidene)pentanoate
CID 11218402
[(1Z)-2-methoxy-1-[4-(2-oxoethyl)oxolan-3-ylidene]ethyl] acetate
CID 11333644
[4-(methoxymethyl)-3-(2-oxoethyl)-3,6-dihydro-2H-pyran-5-yl] acetate
CID 11401913
[(1Z)-1-[4-(2-oxopropyl)oxolan-3-ylidene]ethyl] acetate
CID 11789093
4-ethyl-2-methyl-5-oxo-4H-furan-3-carboxylic acid ethyl ester
CID 13235605

Frequently Asked Questions

What is the IUPAC name of [(1Z)-1-[4-(2-oxoethyl)oxolan-3-ylidene]ethyl] acetate?
The IUPAC name of [(1Z)-1-[4-(2-oxoethyl)oxolan-3-ylidene]ethyl] acetate (CID 11367618) is [(1Z)-1-[4-(2-oxoethyl)oxolan-3-ylidene]ethyl] acetate.
What is the SMILES notation for [(1Z)-1-[4-(2-oxoethyl)oxolan-3-ylidene]ethyl] acetate?
The canonical SMILES for [(1Z)-1-[4-(2-oxoethyl)oxolan-3-ylidene]ethyl] acetate is CC(=O)O/C(C)=C1\COCC1CC=O.
What is the InChIKey of [(1Z)-1-[4-(2-oxoethyl)oxolan-3-ylidene]ethyl] acetate?
The InChIKey is PTDIUPGMXDUTJR-JXMROGBWSA-N. The full InChI is InChI=1S/C10H14O4/c1-7(14-8(2)12)10-6-13-5-9(10)3-4-11/h4,9H,3,5-6H2,1-2H3/b10-7+.
What are the key properties of [(1Z)-1-[4-(2-oxoethyl)oxolan-3-ylidene]ethyl] acetate?
[(1Z)-1-[4-(2-oxoethyl)oxolan-3-ylidene]ethyl] acetate has a molecular weight of 198.22 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z)-1-[4-(2-oxoethyl)oxolan-3-ylidene]ethyl] acetate is sourced from PubChem (CID 11367618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).