ethyl 2-(3-phenylcyclobutylidene)acetate

C14H16O2 — CID 178132588

IUPACethyl 2-(3-phenylcyclobutylidene)acetate
SMILESCCOC(=O)C=C1CC(c2ccccc2)C1
InChIInChI=1S/C14H16O2/c1-2-16-14(15)10-11-8-13(9-11)12-6-4-3-5-7-12/h3-7,10,13H,2,8-9H2,1H3/b11-10-
InChIKeyDXCFNQQVXGWWOF-KHPPLWFESA-N
MW216.28 g/mol
LogP3.05
Rot. Bonds3

About ethyl 2-(3-phenylcyclobutylidene)acetate

ethyl 2-(3-phenylcyclobutylidene)acetate (PubChem CID 178132588) has the molecular formula C14H16O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is ethyl 2-(3-phenylcyclobutylidene)acetate.

Molecular Properties

Compound Nameethyl 2-(3-phenylcyclobutylidene)acetate
PubChem CID178132588
Molecular FormulaC14H16O2
Molecular Weight216.28 g/mol
Exact Mass216.12
IUPAC Nameethyl 2-(3-phenylcyclobutylidene)acetate
SMILESCCOC(=O)C=C1CC(c2ccccc2)C1
InChIInChI=1S/C14H16O2/c1-2-16-14(15)10-11-8-13(9-11)12-6-4-3-5-7-12/h3-7,10,13H,2,8-9H2,1H3/b11-10-
InChIKeyDXCFNQQVXGWWOF-KHPPLWFESA-N
XLogP3.05
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.05
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

ethyl 2-[(3S)-3-[4-(benzhydrylideneamino)phenyl]cyclopentylidene]acetate
CID 86619817
ethyl (2E)-2-[(3R)-3-(4-bromophenyl)cyclopentylidene]acetate
CID 59464091
ethyl 2-[(3S)-3,4-dimethylcyclopentylidene]acetate
CID 142907959
ethyl 2-[(1R,5S)-3-bicyclo[3.2.0]heptanylidene]acetate
CID 59093977
ethyl (2E)-2-(5-phenyloxolan-2-ylidene)acetate
CID 117046633
ethyl 4-phenylcyclohexane-1-carboxylate
CID 15047124
ethyl (2E)-2-[(3R)-3-[tert-butyl(diphenyl)silyl]oxy-5-hydroxy-4-methylidenecyclohexylidene]acetate
CID 89187762
ethyl 2-(1-benzylpiperidin-4-ylidene)acetate;hydrochloride
CID 13349685
ethyl (2S,4S)-4-phenylpyrrolidine-2-carboxylate
CID 153349946
ethyl 2-cyclobutylideneacetate
CID 15724666
ethyl (2Z)-2-(3-cyclohexyl-5-phenyl-1,2-oxazol-4-ylidene)acetate
CID 138970648
ethyl 4-oxo-4-(4-phenylcyclohexyl)butanoate
CID 174381996

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-phenylcyclobutylidene)acetate?
The IUPAC name of ethyl 2-(3-phenylcyclobutylidene)acetate (CID 178132588) is ethyl 2-(3-phenylcyclobutylidene)acetate.
What is the SMILES notation for ethyl 2-(3-phenylcyclobutylidene)acetate?
The canonical SMILES for ethyl 2-(3-phenylcyclobutylidene)acetate is CCOC(=O)C=C1CC(c2ccccc2)C1.
What is the InChIKey of ethyl 2-(3-phenylcyclobutylidene)acetate?
The InChIKey is DXCFNQQVXGWWOF-KHPPLWFESA-N. The full InChI is InChI=1S/C14H16O2/c1-2-16-14(15)10-11-8-13(9-11)12-6-4-3-5-7-12/h3-7,10,13H,2,8-9H2,1H3/b11-10-.
What are the key properties of ethyl 2-(3-phenylcyclobutylidene)acetate?
ethyl 2-(3-phenylcyclobutylidene)acetate has a molecular weight of 216.28 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-phenylcyclobutylidene)acetate is sourced from PubChem (CID 178132588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).