ethyl (2E)-2-(5-phenyloxolan-2-ylidene)acetate

C14H16O3 — CID 117046633

IUPACethyl (2E)-2-(5-phenyloxolan-2-ylidene)acetate
SMILESCCOC(=O)/C=C1\CCC(c2ccccc2)O1
InChIInChI=1S/C14H16O3/c1-2-16-14(15)10-12-8-9-13(17-12)11-6-4-3-5-7-11/h3-7,10,13H,2,8-9H2,1H3/b12-10+
InChIKeyAUGGQADECZQXGW-ZRDIBKRKSA-N
MW232.28 g/mol
LogP2.99
Rot. Bonds3

About ethyl (2E)-2-(5-phenyloxolan-2-ylidene)acetate

ethyl (2E)-2-(5-phenyloxolan-2-ylidene)acetate (PubChem CID 117046633) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is ethyl (2E)-2-(5-phenyloxolan-2-ylidene)acetate.

Molecular Properties

Compound Nameethyl (2E)-2-(5-phenyloxolan-2-ylidene)acetate
PubChem CID117046633
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Nameethyl (2E)-2-(5-phenyloxolan-2-ylidene)acetate
SMILESCCOC(=O)/C=C1\CCC(c2ccccc2)O1
InChIInChI=1S/C14H16O3/c1-2-16-14(15)10-12-8-9-13(17-12)11-6-4-3-5-7-11/h3-7,10,13H,2,8-9H2,1H3/b12-10+
InChIKeyAUGGQADECZQXGW-ZRDIBKRKSA-N
XLogP2.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.99
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-(3-phenylcyclobutylidene)acetate
CID 178132588
ethyl (2E)-2-[5-(iodomethyl)oxolan-2-ylidene]acetate
CID 11140993
ethyl (2E)-2-[(5R)-5-[(1R)-1-bromoethyl]oxolan-2-ylidene]acetate
CID 101170361
ethyl (2E)-2-[(5R)-5-(butoxymethyl)oxolan-2-ylidene]acetate
CID 101170358
ethyl (2Z)-2-(3-cyclohexyl-5-phenyl-1,2-oxazol-4-ylidene)acetate
CID 138970648
ethyl (2Z)-2-[(3S)-7-methyl-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydro-4,1-benzoxazepin-5-ylidene]acetate
CID 139051300
ethyl (2E)-2-[6-di(propan-2-yloxy)phosphoryl-4-phenyl-3,4-dihydropyran-2-ylidene]acetate
CID 56850844
ethyl (2R,3S,5R)-3-hydroxy-5-phenyloxolane-2-carboxylate
CID 10513963
ethyl (2Z)-2-(7-methyl-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-ylidene)acetate
CID 102227512
ethyl (E)-3-[(2R)-2-phenyl-2H-1,3-benzoxazol-3-yl]prop-2-enoate
CID 139051050
ethyl (2E)-2-(6-benzyl-6-azabicyclo[3.1.0]hexan-2-ylidene)acetate
CID 25098648
ethyl (2Z)-2-(7-chloro-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-ylidene)acetate
CID 135023119

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-(5-phenyloxolan-2-ylidene)acetate?
The IUPAC name of ethyl (2E)-2-(5-phenyloxolan-2-ylidene)acetate (CID 117046633) is ethyl (2E)-2-(5-phenyloxolan-2-ylidene)acetate.
What is the SMILES notation for ethyl (2E)-2-(5-phenyloxolan-2-ylidene)acetate?
The canonical SMILES for ethyl (2E)-2-(5-phenyloxolan-2-ylidene)acetate is CCOC(=O)/C=C1\CCC(c2ccccc2)O1.
What is the InChIKey of ethyl (2E)-2-(5-phenyloxolan-2-ylidene)acetate?
The InChIKey is AUGGQADECZQXGW-ZRDIBKRKSA-N. The full InChI is InChI=1S/C14H16O3/c1-2-16-14(15)10-12-8-9-13(17-12)11-6-4-3-5-7-11/h3-7,10,13H,2,8-9H2,1H3/b12-10+.
What are the key properties of ethyl (2E)-2-(5-phenyloxolan-2-ylidene)acetate?
ethyl (2E)-2-(5-phenyloxolan-2-ylidene)acetate has a molecular weight of 232.28 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-(5-phenyloxolan-2-ylidene)acetate is sourced from PubChem (CID 117046633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).