[(E)-2-[(4Z)-4-ethylideneoxolan-3-yl]ethenyl] acetate

C10H14O3 — CID 135056942

IUPAC[(E)-2-[(4Z)-4-ethylideneoxolan-3-yl]ethenyl] acetate
SMILESC/C=C1\COCC1/C=C/OC(C)=O
InChIInChI=1S/C10H14O3/c1-3-9-6-12-7-10(9)4-5-13-8(2)11/h3-5,10H,6-7H2,1-2H3/b5-4+,9-3+
InChIKeyPDVOYUFPNODTDH-ISPHYHJQSA-N
MW182.22 g/mol
LogP1.66
Rot. Bonds2

About [(E)-2-[(4Z)-4-ethylideneoxolan-3-yl]ethenyl] acetate

[(E)-2-[(4Z)-4-ethylideneoxolan-3-yl]ethenyl] acetate (PubChem CID 135056942) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is [(E)-2-[(4Z)-4-ethylideneoxolan-3-yl]ethenyl] acetate.

Molecular Properties

Compound Name[(E)-2-[(4Z)-4-ethylideneoxolan-3-yl]ethenyl] acetate
PubChem CID135056942
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Name[(E)-2-[(4Z)-4-ethylideneoxolan-3-yl]ethenyl] acetate
SMILESC/C=C1\COCC1/C=C/OC(C)=O
InChIInChI=1S/C10H14O3/c1-3-9-6-12-7-10(9)4-5-13-8(2)11/h3-5,10H,6-7H2,1-2H3/b5-4+,9-3+
InChIKeyPDVOYUFPNODTDH-ISPHYHJQSA-N
XLogP1.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(E)-2-[(4Z)-4-ethylideneoxolan-3-yl]ethenyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Lyratyl acetate
CID 6427141
(S,E)-2,5-Dimethyl-4-vinylhexa-2,5-dien-1-yl acetate
CID 91710264
2-Hexen-1-ol, 5-methyl-2-(1-methylethyl)-, acetate
CID 6434276
4-Hexen-1-ol, 3-ethenyl-5-methyl-2-methylene-, 1-acetate
CID 101413630
[(2E,4R)-4-ethenyl-2,5-dimethylhexa-2,5-dienyl] acetate
CID 162943767
[(2Z,4R)-4-ethenyl-2,5-dimethylhexa-2,5-dienyl] acetate
CID 162943768
[(3S)-3-ethenyl-5-methyl-2-methylidenehex-4-enyl] acetate
CID 163044311
2-Hexen-1-ol, 5-methyl-2-(1-methylethyl)-, 1-acetate
CID 38689
Tetrahydrofuran-3-acrylic acid methyl ester
CID 81605237
[(1Z)-1-(4-ethenyl-2-oxooxolan-3-ylidene)ethyl] acetate
CID 12098808
[(1Z)-1-(4-ethenyl-2-oxooxolan-3-ylidene)butyl] acetate
CID 12098810
(3Z)-4-ethenyl-3-ethylideneoxolan-2-one
CID 15890707

Frequently Asked Questions

What is the IUPAC name of [(E)-2-[(4Z)-4-ethylideneoxolan-3-yl]ethenyl] acetate?
The IUPAC name of [(E)-2-[(4Z)-4-ethylideneoxolan-3-yl]ethenyl] acetate (CID 135056942) is [(E)-2-[(4Z)-4-ethylideneoxolan-3-yl]ethenyl] acetate.
What is the SMILES notation for [(E)-2-[(4Z)-4-ethylideneoxolan-3-yl]ethenyl] acetate?
The canonical SMILES for [(E)-2-[(4Z)-4-ethylideneoxolan-3-yl]ethenyl] acetate is C/C=C1\COCC1/C=C/OC(C)=O.
What is the InChIKey of [(E)-2-[(4Z)-4-ethylideneoxolan-3-yl]ethenyl] acetate?
The InChIKey is PDVOYUFPNODTDH-ISPHYHJQSA-N. The full InChI is InChI=1S/C10H14O3/c1-3-9-6-12-7-10(9)4-5-13-8(2)11/h3-5,10H,6-7H2,1-2H3/b5-4+,9-3+.
What are the key properties of [(E)-2-[(4Z)-4-ethylideneoxolan-3-yl]ethenyl] acetate?
[(E)-2-[(4Z)-4-ethylideneoxolan-3-yl]ethenyl] acetate has a molecular weight of 182.22 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-[(4Z)-4-ethylideneoxolan-3-yl]ethenyl] acetate is sourced from PubChem (CID 135056942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).