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

C11H16O5 — CID 11333644

IUPAC[(1Z)-2-methoxy-1-[4-(2-oxoethyl)oxolan-3-ylidene]ethyl] acetate
SMILESCOC/C(OC(C)=O)=C1/COCC1CC=O
InChIInChI=1S/C11H16O5/c1-8(13)16-11(7-14-2)10-6-15-5-9(10)3-4-12/h4,9H,3,5-7H2,1-2H3/b11-10+
InChIKeyXTZPHYKEWDDFDD-ZHACJKMWSA-N
MW228.24 g/mol
LogP0.69
Rot. Bonds5

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

[(1Z)-2-methoxy-1-[4-(2-oxoethyl)oxolan-3-ylidene]ethyl] acetate (PubChem CID 11333644) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is [(1Z)-2-methoxy-1-[4-(2-oxoethyl)oxolan-3-ylidene]ethyl] acetate.

Molecular Properties

Compound Name[(1Z)-2-methoxy-1-[4-(2-oxoethyl)oxolan-3-ylidene]ethyl] acetate
PubChem CID11333644
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name[(1Z)-2-methoxy-1-[4-(2-oxoethyl)oxolan-3-ylidene]ethyl] acetate
SMILESCOC/C(OC(C)=O)=C1/COCC1CC=O
InChIInChI=1S/C11H16O5/c1-8(13)16-11(7-14-2)10-6-15-5-9(10)3-4-12/h4,9H,3,5-7H2,1-2H3/b11-10+
InChIKeyXTZPHYKEWDDFDD-ZHACJKMWSA-N
XLogP0.69
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 50.69
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'}

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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-[4-(2-oxoethyl)oxolan-3-ylidene]ethyl] acetate
CID 11367618
[(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
[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

Frequently Asked Questions

What is the IUPAC name of [(1Z)-2-methoxy-1-[4-(2-oxoethyl)oxolan-3-ylidene]ethyl] acetate?
The IUPAC name of [(1Z)-2-methoxy-1-[4-(2-oxoethyl)oxolan-3-ylidene]ethyl] acetate (CID 11333644) is [(1Z)-2-methoxy-1-[4-(2-oxoethyl)oxolan-3-ylidene]ethyl] acetate.
What is the SMILES notation for [(1Z)-2-methoxy-1-[4-(2-oxoethyl)oxolan-3-ylidene]ethyl] acetate?
The canonical SMILES for [(1Z)-2-methoxy-1-[4-(2-oxoethyl)oxolan-3-ylidene]ethyl] acetate is COC/C(OC(C)=O)=C1/COCC1CC=O.
What is the InChIKey of [(1Z)-2-methoxy-1-[4-(2-oxoethyl)oxolan-3-ylidene]ethyl] acetate?
The InChIKey is XTZPHYKEWDDFDD-ZHACJKMWSA-N. The full InChI is InChI=1S/C11H16O5/c1-8(13)16-11(7-14-2)10-6-15-5-9(10)3-4-12/h4,9H,3,5-7H2,1-2H3/b11-10+.
What are the key properties of [(1Z)-2-methoxy-1-[4-(2-oxoethyl)oxolan-3-ylidene]ethyl] acetate?
[(1Z)-2-methoxy-1-[4-(2-oxoethyl)oxolan-3-ylidene]ethyl] acetate has a molecular weight of 228.24 g/mol, XLogP of 0.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z)-2-methoxy-1-[4-(2-oxoethyl)oxolan-3-ylidene]ethyl] acetate is sourced from PubChem (CID 11333644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).