ethyl 2-cyclobutylideneacetate

C8H12O2 — CID 15724666

IUPACethyl 2-cyclobutylideneacetate
SMILESCCOC(=O)C=C1CCC1
InChIInChI=1S/C8H12O2/c1-2-10-8(9)6-7-4-3-5-7/h6H,2-5H2,1H3
InChIKeyFGCGWHVDPBOFJE-UHFFFAOYSA-N
MW140.18 g/mol
LogP1.66
Rot. Bonds2

About ethyl 2-cyclobutylideneacetate

ethyl 2-cyclobutylideneacetate (PubChem CID 15724666) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is ethyl 2-cyclobutylideneacetate.

Molecular Properties

Compound Nameethyl 2-cyclobutylideneacetate
PubChem CID15724666
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Nameethyl 2-cyclobutylideneacetate
SMILESCCOC(=O)C=C1CCC1
InChIInChI=1S/C8H12O2/c1-2-10-8(9)6-7-4-3-5-7/h6H,2-5H2,1H3
InChIKeyFGCGWHVDPBOFJE-UHFFFAOYSA-N
XLogP1.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-cyclobutylideneethanol;ethyl 2-cyclobutylideneacetate;methane
CID 159790396
ethyl (2E)-2-[(2Z)-2-(2-ethoxy-2-oxoethylidene)cyclopentylidene]acetate
CID 177463101
ethyl 2-(1,1-dihydroxythian-4-ylidene)acetate
CID 130201775
ethyl 2-(1-phosphanylpiperidin-4-ylidene)acetate
CID 59395234
ethyl 2-pyrrolidin-3-ylideneacetate;hydrochloride
CID 171369976
ethyl (2E)-2-[(2E)-2-(2-ethoxy-2-oxoethylidene)cyclohexylidene]acetate
CID 10944902
ethyl 2-(1,1-dihydroxythietan-3-ylidene)acetate
CID 130201757
ethyl 2-[(3S)-3,4-dimethylcyclopentylidene]acetate
CID 142907959
ethyl 2-(oxolan-3-ylidene)acetate
CID 123997047
prop-2-ynyl 2-cyclobutylideneacetate
CID 130611902
ethyl 2-[(1R,5S)-3-bicyclo[3.2.0]heptanylidene]acetate
CID 59093977
ethane;ethyl (2Z)-2-(oxolan-3-ylidene)acetate
CID 153402357

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclobutylideneacetate?
The IUPAC name of ethyl 2-cyclobutylideneacetate (CID 15724666) is ethyl 2-cyclobutylideneacetate.
What is the SMILES notation for ethyl 2-cyclobutylideneacetate?
The canonical SMILES for ethyl 2-cyclobutylideneacetate is CCOC(=O)C=C1CCC1.
What is the InChIKey of ethyl 2-cyclobutylideneacetate?
The InChIKey is FGCGWHVDPBOFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-2-10-8(9)6-7-4-3-5-7/h6H,2-5H2,1H3.
What are the key properties of ethyl 2-cyclobutylideneacetate?
ethyl 2-cyclobutylideneacetate has a molecular weight of 140.18 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclobutylideneacetate is sourced from PubChem (CID 15724666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).