ethyl (2E)-2-[5-[(Z)-prop-1-enyl]oxolan-2-ylidene]acetate

C11H16O3 — CID 134981199

IUPACethyl (2E)-2-[5-[(Z)-prop-1-enyl]oxolan-2-ylidene]acetate
SMILESC/C=C\C1CC/C(=C\C(=O)OCC)O1
InChIInChI=1S/C11H16O3/c1-3-5-9-6-7-10(14-9)8-11(12)13-4-2/h3,5,8-9H,4,6-7H2,1-2H3/b5-3-,10-8+
InChIKeyWQKWQQNVDGWGJU-WEZLDLNLSA-N
MW196.25 g/mol
LogP2.19
Rot. Bonds3

About ethyl (2E)-2-[5-[(Z)-prop-1-enyl]oxolan-2-ylidene]acetate

ethyl (2E)-2-[5-[(Z)-prop-1-enyl]oxolan-2-ylidene]acetate (PubChem CID 134981199) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is ethyl (2E)-2-[5-[(Z)-prop-1-enyl]oxolan-2-ylidene]acetate.

Molecular Properties

Compound Nameethyl (2E)-2-[5-[(Z)-prop-1-enyl]oxolan-2-ylidene]acetate
PubChem CID134981199
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Nameethyl (2E)-2-[5-[(Z)-prop-1-enyl]oxolan-2-ylidene]acetate
SMILESC/C=C\C1CC/C(=C\C(=O)OCC)O1
InChIInChI=1S/C11H16O3/c1-3-5-9-6-7-10(14-9)8-11(12)13-4-2/h3,5,8-9H,4,6-7H2,1-2H3/b5-3-,10-8+
InChIKeyWQKWQQNVDGWGJU-WEZLDLNLSA-N
XLogP2.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.19
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

2-Nonenoic acid gamma-lactone
CID 89559
(3E,6Z,8S,9Z,14S)-8-methoxy-14-methyl-1-oxacyclotetradeca-3,6,9-triene-2,5-dione
CID 134157703
5-Butylfuran-2(5H)-one
CID 121779
5-Propylfuran-2(5H)-one
CID 93769
Benquoine
CID 56924800
14-Methyl-1-oxacyclotetradeca-3,5,9-trien-2-one
CID 76418365
methyl (2E)-2-(5-methyloxolan-2-ylidene)acetate
CID 5387115
[(E)-non-5-en-4-yl] acetate
CID 10921197
Ethyl E-(dihydrofuran-2-ylidene)acetate
CID 11084120
2-but-3-enyl-2H-furan-5-one
CID 12066113
ethyl (2E)-2-(5-ethenyloxolan-2-ylidene)acetate
CID 12101794
2-Ethyl-4-methoxy-2,3-dihydropyran-6-one
CID 12213829

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-[5-[(Z)-prop-1-enyl]oxolan-2-ylidene]acetate?
The IUPAC name of ethyl (2E)-2-[5-[(Z)-prop-1-enyl]oxolan-2-ylidene]acetate (CID 134981199) is ethyl (2E)-2-[5-[(Z)-prop-1-enyl]oxolan-2-ylidene]acetate.
What is the SMILES notation for ethyl (2E)-2-[5-[(Z)-prop-1-enyl]oxolan-2-ylidene]acetate?
The canonical SMILES for ethyl (2E)-2-[5-[(Z)-prop-1-enyl]oxolan-2-ylidene]acetate is C/C=C\C1CC/C(=C\C(=O)OCC)O1.
What is the InChIKey of ethyl (2E)-2-[5-[(Z)-prop-1-enyl]oxolan-2-ylidene]acetate?
The InChIKey is WQKWQQNVDGWGJU-WEZLDLNLSA-N. The full InChI is InChI=1S/C11H16O3/c1-3-5-9-6-7-10(14-9)8-11(12)13-4-2/h3,5,8-9H,4,6-7H2,1-2H3/b5-3-,10-8+.
What are the key properties of ethyl (2E)-2-[5-[(Z)-prop-1-enyl]oxolan-2-ylidene]acetate?
ethyl (2E)-2-[5-[(Z)-prop-1-enyl]oxolan-2-ylidene]acetate has a molecular weight of 196.25 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-[5-[(Z)-prop-1-enyl]oxolan-2-ylidene]acetate is sourced from PubChem (CID 134981199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).