ethyl (2Z)-2-[(4R)-4-[(E)-but-1-enyl]oxolan-3-ylidene]acetate

C12H18O3 — CID 135057114

IUPACethyl (2Z)-2-[(4R)-4-[(E)-but-1-enyl]oxolan-3-ylidene]acetate
SMILESCC/C=C/[C@H]1COC/C1=C\C(=O)OCC
InChIInChI=1S/C12H18O3/c1-3-5-6-10-8-14-9-11(10)7-12(13)15-4-2/h5-7,10H,3-4,8-9H2,1-2H3/b6-5+,11-7+/t10-/m0/s1
InChIKeyOUDBUTRQLYIOAB-NGOIHCBHSA-N
MW210.27 g/mol
LogP2.09
Rot. Bonds4

About ethyl (2Z)-2-[(4R)-4-[(E)-but-1-enyl]oxolan-3-ylidene]acetate

ethyl (2Z)-2-[(4R)-4-[(E)-but-1-enyl]oxolan-3-ylidene]acetate (PubChem CID 135057114) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is ethyl (2Z)-2-[(4R)-4-[(E)-but-1-enyl]oxolan-3-ylidene]acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-[(4R)-4-[(E)-but-1-enyl]oxolan-3-ylidene]acetate
PubChem CID135057114
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Nameethyl (2Z)-2-[(4R)-4-[(E)-but-1-enyl]oxolan-3-ylidene]acetate
SMILESCC/C=C/[C@H]1COC/C1=C\C(=O)OCC
InChIInChI=1S/C12H18O3/c1-3-5-6-10-8-14-9-11(10)7-12(13)15-4-2/h5-7,10H,3-4,8-9H2,1-2H3/b6-5+,11-7+/t10-/m0/s1
InChIKeyOUDBUTRQLYIOAB-NGOIHCBHSA-N
XLogP2.09
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 ≤ 52.09
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

(3R,4Z)-3-[(E)-but-1-enyl]-4-ethylideneoxolane
CID 101386813
ethyl 2-(oxolan-3-ylidene)acetate
CID 123997047
ethyl (2E)-2-[(1S,6S)-7-bicyclo[4.2.0]octanylidene]acetate
CID 59077267
ethyl (2E)-2-[(2Z)-2-(2-ethoxy-2-oxoethylidene)cyclopentylidene]acetate
CID 177463101
ethyl (2E)-2-[(2E)-2-(2-ethoxy-2-oxoethylidene)cyclohexylidene]acetate
CID 10944902
ethyl (2E)-2-[(2S,3R,6S,7R,9E,10S,11R,12R,14S,15R,17S)-9-(2-ethoxy-2-oxoethylidene)-13-oxaheptacyclo[8.6.1.02,6.03,15.07,17.011,16.012,14]heptadecan-4-ylidene]acetate
CID 98557867
ethyl (2E)-2-(2-prop-2-enyloxan-3-ylidene)acetate
CID 15416620
ethane;ethyl (2Z)-2-(oxolan-3-ylidene)acetate
CID 153402357
ethyl (2E)-2-[(3R,3aS,6aR)-3-[tert-butyl(dimethyl)silyl]oxy-2,3,3a,6a-tetrahydrofuro[3,2-b]furan-6-ylidene]acetate
CID 131735088
ethyl (2E)-2-(4-ethylpiperidin-3-ylidene)acetate
CID 145148389
ethyl 2-(3-methyloxiran-2-ylidene)acetate
CID 141372783
ethyl (Z)-pent-2-enoate
CID 11332473

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-[(4R)-4-[(E)-but-1-enyl]oxolan-3-ylidene]acetate?
The IUPAC name of ethyl (2Z)-2-[(4R)-4-[(E)-but-1-enyl]oxolan-3-ylidene]acetate (CID 135057114) is ethyl (2Z)-2-[(4R)-4-[(E)-but-1-enyl]oxolan-3-ylidene]acetate.
What is the SMILES notation for ethyl (2Z)-2-[(4R)-4-[(E)-but-1-enyl]oxolan-3-ylidene]acetate?
The canonical SMILES for ethyl (2Z)-2-[(4R)-4-[(E)-but-1-enyl]oxolan-3-ylidene]acetate is CC/C=C/[C@H]1COC/C1=C\C(=O)OCC.
What is the InChIKey of ethyl (2Z)-2-[(4R)-4-[(E)-but-1-enyl]oxolan-3-ylidene]acetate?
The InChIKey is OUDBUTRQLYIOAB-NGOIHCBHSA-N. The full InChI is InChI=1S/C12H18O3/c1-3-5-6-10-8-14-9-11(10)7-12(13)15-4-2/h5-7,10H,3-4,8-9H2,1-2H3/b6-5+,11-7+/t10-/m0/s1.
What are the key properties of ethyl (2Z)-2-[(4R)-4-[(E)-but-1-enyl]oxolan-3-ylidene]acetate?
ethyl (2Z)-2-[(4R)-4-[(E)-but-1-enyl]oxolan-3-ylidene]acetate has a molecular weight of 210.27 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-[(4R)-4-[(E)-but-1-enyl]oxolan-3-ylidene]acetate is sourced from PubChem (CID 135057114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).