ethyl (E)-3-cyclobutylbut-2-enoate

C10H16O2 — CID 89095848

IUPACethyl (E)-3-cyclobutylbut-2-enoate
SMILESCCOC(=O)/C=C(\C)C1CCC1
InChIInChI=1S/C10H16O2/c1-3-12-10(11)7-8(2)9-5-4-6-9/h7,9H,3-6H2,1-2H3/b8-7+
InChIKeyCRTYLGGLMYXOPR-BQYQJAHWSA-N
MW168.24 g/mol
LogP2.30
Rot. Bonds3

About ethyl (E)-3-cyclobutylbut-2-enoate

ethyl (E)-3-cyclobutylbut-2-enoate (PubChem CID 89095848) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is ethyl (E)-3-cyclobutylbut-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-cyclobutylbut-2-enoate
PubChem CID89095848
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Nameethyl (E)-3-cyclobutylbut-2-enoate
SMILESCCOC(=O)/C=C(\C)C1CCC1
InChIInChI=1S/C10H16O2/c1-3-12-10(11)7-8(2)9-5-4-6-9/h7,9H,3-6H2,1-2H3/b8-7+
InChIKeyCRTYLGGLMYXOPR-BQYQJAHWSA-N
XLogP2.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.30
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 (E)-3-cyclopentylbut-2-enoate
CID 89095864
methyl (E)-3-cyclobutylbut-2-enoate
CID 89095849
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CID 138979949
ethyl (E)-3-piperidin-1-ylbut-2-enoate
CID 692003
ethyl 3-(cyclohexanecarbonyl)-4-oxopent-2-enoate
CID 69244672
ethyl (E)-3-cyclopentyl-4,4,4-trifluorobut-2-enoate
CID 15002816
[2-(azocan-1-yl)-2-oxoethyl] (E)-3-cyclopropylbut-2-enoate
CID 75363686
diethyl (Z)-2-[(E)-2-pyrrolidin-1-ylprop-1-enyl]but-2-enedioate
CID 164676347
ethyl (E)-3-methyl-4-piperidin-1-ylbut-2-enoate
CID 59333090
ethyl cyclobutanecarboxylate;formic acid
CID 158508137
ethyl (E)-3-(cyclohexylamino)but-2-enoate
CID 15555337
ethyl 3-hydroxybut-2-enoate
CID 54692957

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-cyclobutylbut-2-enoate?
The IUPAC name of ethyl (E)-3-cyclobutylbut-2-enoate (CID 89095848) is ethyl (E)-3-cyclobutylbut-2-enoate.
What is the SMILES notation for ethyl (E)-3-cyclobutylbut-2-enoate?
The canonical SMILES for ethyl (E)-3-cyclobutylbut-2-enoate is CCOC(=O)/C=C(\C)C1CCC1.
What is the InChIKey of ethyl (E)-3-cyclobutylbut-2-enoate?
The InChIKey is CRTYLGGLMYXOPR-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H16O2/c1-3-12-10(11)7-8(2)9-5-4-6-9/h7,9H,3-6H2,1-2H3/b8-7+.
What are the key properties of ethyl (E)-3-cyclobutylbut-2-enoate?
ethyl (E)-3-cyclobutylbut-2-enoate has a molecular weight of 168.24 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-cyclobutylbut-2-enoate is sourced from PubChem (CID 89095848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).