ethane;ethyl (2Z)-2-(oxolan-3-ylidene)acetate

C12H24O3 — CID 153402357

IUPACethane;ethyl (2Z)-2-(oxolan-3-ylidene)acetate
SMILESCC.CC.CCOC(=O)/C=C1/CCOC1
InChIInChI=1S/C8H12O3.2C2H6/c1-2-11-8(9)5-7-3-4-10-6-7;2*1-2/h5H,2-4,6H2,1H3;2*1-2H3/b7-5-;;
InChIKeyAEBQTQJAFFWJDK-MWKZNRQPSA-N
MW216.32 g/mol
LogP2.95
Rot. Bonds2

About ethane;ethyl (2Z)-2-(oxolan-3-ylidene)acetate

ethane;ethyl (2Z)-2-(oxolan-3-ylidene)acetate (PubChem CID 153402357) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is ethane;ethyl (2Z)-2-(oxolan-3-ylidene)acetate.

Molecular Properties

Compound Nameethane;ethyl (2Z)-2-(oxolan-3-ylidene)acetate
PubChem CID153402357
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Nameethane;ethyl (2Z)-2-(oxolan-3-ylidene)acetate
SMILESCC.CC.CCOC(=O)/C=C1/CCOC1
InChIInChI=1S/C8H12O3.2C2H6/c1-2-11-8(9)5-7-3-4-10-6-7;2*1-2/h5H,2-4,6H2,1H3;2*1-2H3/b7-5-;;
InChIKeyAEBQTQJAFFWJDK-MWKZNRQPSA-N
XLogP2.95
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(oxolan-3-ylidene)acetate
CID 123997047
ethyl 2-cyclobutylideneacetate
CID 15724666
ethyl 2-(1,1-dihydroxythian-4-ylidene)acetate
CID 130201775
ethane;ethyl 2-(4-acetamidocyclohexylidene)acetate
CID 142518944
ethyl 2-[(3S)-3,4-dimethylcyclopentylidene]acetate
CID 142907959
ethyl 2-(1,1-dihydroxythietan-3-ylidene)acetate
CID 130201757
ethyl 2-pyrrolidin-3-ylideneacetate;hydrochloride
CID 171369976
2-(oxolan-3-ylidene)ethyl acetate
CID 175125851
ethyl 2-(1-phosphanylpiperidin-4-ylidene)acetate
CID 59395234
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 2-[(1R,5S)-3-bicyclo[3.2.0]heptanylidene]acetate
CID 59093977

Frequently Asked Questions

What is the IUPAC name of ethane;ethyl (2Z)-2-(oxolan-3-ylidene)acetate?
The IUPAC name of ethane;ethyl (2Z)-2-(oxolan-3-ylidene)acetate (CID 153402357) is ethane;ethyl (2Z)-2-(oxolan-3-ylidene)acetate.
What is the SMILES notation for ethane;ethyl (2Z)-2-(oxolan-3-ylidene)acetate?
The canonical SMILES for ethane;ethyl (2Z)-2-(oxolan-3-ylidene)acetate is CC.CC.CCOC(=O)/C=C1/CCOC1.
What is the InChIKey of ethane;ethyl (2Z)-2-(oxolan-3-ylidene)acetate?
The InChIKey is AEBQTQJAFFWJDK-MWKZNRQPSA-N. The full InChI is InChI=1S/C8H12O3.2C2H6/c1-2-11-8(9)5-7-3-4-10-6-7;2*1-2/h5H,2-4,6H2,1H3;2*1-2H3/b7-5-;;.
What are the key properties of ethane;ethyl (2Z)-2-(oxolan-3-ylidene)acetate?
ethane;ethyl (2Z)-2-(oxolan-3-ylidene)acetate has a molecular weight of 216.32 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl (2Z)-2-(oxolan-3-ylidene)acetate is sourced from PubChem (CID 153402357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).