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

C11H16O4 — CID 11789093

IUPAC[(1Z)-1-[4-(2-oxopropyl)oxolan-3-ylidene]ethyl] acetate
SMILESCC(=O)CC1COC/C1=C(/C)OC(C)=O
InChIInChI=1S/C11H16O4/c1-7(12)4-10-5-14-6-11(10)8(2)15-9(3)13/h10H,4-6H2,1-3H3/b11-8+
InChIKeyJQNNOEMGMGPIHB-DHZHZOJOSA-N
MW212.24 g/mol
LogP1.45
Rot. Bonds3

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

[(1Z)-1-[4-(2-oxopropyl)oxolan-3-ylidene]ethyl] acetate (PubChem CID 11789093) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is [(1Z)-1-[4-(2-oxopropyl)oxolan-3-ylidene]ethyl] acetate.

Molecular Properties

Compound Name[(1Z)-1-[4-(2-oxopropyl)oxolan-3-ylidene]ethyl] acetate
PubChem CID11789093
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name[(1Z)-1-[4-(2-oxopropyl)oxolan-3-ylidene]ethyl] acetate
SMILESCC(=O)CC1COC/C1=C(/C)OC(C)=O
InChIInChI=1S/C11H16O4/c1-7(12)4-10-5-14-6-11(10)8(2)15-9(3)13/h10H,4-6H2,1-3H3/b11-8+
InChIKeyJQNNOEMGMGPIHB-DHZHZOJOSA-N
XLogP1.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(1Z)-1-[4-(2-oxoethyl)oxolan-3-ylidene]octyl] acetate
CID 11231379
[(1Z)-1-[4-(2-oxoethyl)oxolan-3-ylidene]ethyl] acetate
CID 11367618
[(1Z)-1-[(3aS,7aS)-7a-methyl-5-oxo-3a,4-dihydro-1-benzofuran-3-ylidene]ethyl] acetate
CID 102482026
ethyl 5-ethyl-2-oxo-3-propanoyl-3H-furan-4-carboxylate
CID 57319257
3-Propan-2-ylidene-4-propyloxolan-2-one
CID 91318774
[(1Z)-1-[(4S,5R)-5-methyl-4-(4-methylpent-3-enyl)-2-oxooxolan-3-ylidene]ethyl] acetate
CID 11129253
[(1Z)-1-[4-(2-oxoethyl)oxolan-3-ylidene]hexyl] acetate
CID 11149482
[(1Z)-2-methoxy-1-[4-(2-oxoethyl)oxolan-3-ylidene]ethyl] acetate
CID 11333644
[(1Z)-1-[(3aR,7aR)-7a-methyl-5-oxo-3a,4-dihydro-1-benzofuran-3-ylidene]ethyl] acetate
CID 102444104

Frequently Asked Questions

What is the IUPAC name of [(1Z)-1-[4-(2-oxopropyl)oxolan-3-ylidene]ethyl] acetate?
The IUPAC name of [(1Z)-1-[4-(2-oxopropyl)oxolan-3-ylidene]ethyl] acetate (CID 11789093) is [(1Z)-1-[4-(2-oxopropyl)oxolan-3-ylidene]ethyl] acetate.
What is the SMILES notation for [(1Z)-1-[4-(2-oxopropyl)oxolan-3-ylidene]ethyl] acetate?
The canonical SMILES for [(1Z)-1-[4-(2-oxopropyl)oxolan-3-ylidene]ethyl] acetate is CC(=O)CC1COC/C1=C(/C)OC(C)=O.
What is the InChIKey of [(1Z)-1-[4-(2-oxopropyl)oxolan-3-ylidene]ethyl] acetate?
The InChIKey is JQNNOEMGMGPIHB-DHZHZOJOSA-N. The full InChI is InChI=1S/C11H16O4/c1-7(12)4-10-5-14-6-11(10)8(2)15-9(3)13/h10H,4-6H2,1-3H3/b11-8+.
What are the key properties of [(1Z)-1-[4-(2-oxopropyl)oxolan-3-ylidene]ethyl] acetate?
[(1Z)-1-[4-(2-oxopropyl)oxolan-3-ylidene]ethyl] acetate has a molecular weight of 212.24 g/mol, XLogP of 1.45, 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-oxopropyl)oxolan-3-ylidene]ethyl] acetate is sourced from PubChem (CID 11789093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).