ethyl (2Z)-2-(5-ethenyloxolan-2-ylidene)butanoate

C12H18O3 — CID 11063706

IUPACethyl (2Z)-2-(5-ethenyloxolan-2-ylidene)butanoate
SMILESC=CC1CC/C(=C(\CC)C(=O)OCC)O1
InChIInChI=1S/C12H18O3/c1-4-9-7-8-11(15-9)10(5-2)12(13)14-6-3/h4,9H,1,5-8H2,2-3H3/b11-10-
InChIKeyFAPQUOHHVSZICD-KHPPLWFESA-N
MW210.27 g/mol
LogP2.58
Rot. Bonds4

About ethyl (2Z)-2-(5-ethenyloxolan-2-ylidene)butanoate

ethyl (2Z)-2-(5-ethenyloxolan-2-ylidene)butanoate (PubChem CID 11063706) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is ethyl (2Z)-2-(5-ethenyloxolan-2-ylidene)butanoate.

Molecular Properties

Compound Nameethyl (2Z)-2-(5-ethenyloxolan-2-ylidene)butanoate
PubChem CID11063706
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Nameethyl (2Z)-2-(5-ethenyloxolan-2-ylidene)butanoate
SMILESC=CC1CC/C(=C(\CC)C(=O)OCC)O1
InChIInChI=1S/C12H18O3/c1-4-9-7-8-11(15-9)10(5-2)12(13)14-6-3/h4,9H,1,5-8H2,2-3H3/b11-10-
InChIKeyFAPQUOHHVSZICD-KHPPLWFESA-N
XLogP2.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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3-(4,8-dimethyl-6-oxonona-3,7-dienyl)-2H-furan-5-one
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3-(4,8,12-trimethyl-10-oxotrideca-3,7,11-trienyl)-2H-furan-5-one
CID 76525652
(4Z,8Z,11S)-5,9-dimethyl-12-oxabicyclo[9.2.1]tetradeca-1(14),4,8-trien-13-one
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CID 139584592

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-(5-ethenyloxolan-2-ylidene)butanoate?
The IUPAC name of ethyl (2Z)-2-(5-ethenyloxolan-2-ylidene)butanoate (CID 11063706) is ethyl (2Z)-2-(5-ethenyloxolan-2-ylidene)butanoate.
What is the SMILES notation for ethyl (2Z)-2-(5-ethenyloxolan-2-ylidene)butanoate?
The canonical SMILES for ethyl (2Z)-2-(5-ethenyloxolan-2-ylidene)butanoate is C=CC1CC/C(=C(\CC)C(=O)OCC)O1.
What is the InChIKey of ethyl (2Z)-2-(5-ethenyloxolan-2-ylidene)butanoate?
The InChIKey is FAPQUOHHVSZICD-KHPPLWFESA-N. The full InChI is InChI=1S/C12H18O3/c1-4-9-7-8-11(15-9)10(5-2)12(13)14-6-3/h4,9H,1,5-8H2,2-3H3/b11-10-.
What are the key properties of ethyl (2Z)-2-(5-ethenyloxolan-2-ylidene)butanoate?
ethyl (2Z)-2-(5-ethenyloxolan-2-ylidene)butanoate has a molecular weight of 210.27 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-(5-ethenyloxolan-2-ylidene)butanoate is sourced from PubChem (CID 11063706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).