dipropyl 2-cyclobutylidenepropanedioate

C13H20O4 — CID 134607535

IUPACdipropyl 2-cyclobutylidenepropanedioate
SMILESCCCOC(=O)C(C(=O)OCCC)=C1CCC1
InChIInChI=1S/C13H20O4/c1-3-8-16-12(14)11(10-6-5-7-10)13(15)17-9-4-2/h3-9H2,1-2H3
InChIKeyVEBCAYOHYMFNBF-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.37
Rot. Bonds6

About dipropyl 2-cyclobutylidenepropanedioate

dipropyl 2-cyclobutylidenepropanedioate (PubChem CID 134607535) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is dipropyl 2-cyclobutylidenepropanedioate.

Molecular Properties

Compound Namedipropyl 2-cyclobutylidenepropanedioate
PubChem CID134607535
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Namedipropyl 2-cyclobutylidenepropanedioate
SMILESCCCOC(=O)C(C(=O)OCCC)=C1CCC1
InChIInChI=1S/C13H20O4/c1-3-8-16-12(14)11(10-6-5-7-10)13(15)17-9-4-2/h3-9H2,1-2H3
InChIKeyVEBCAYOHYMFNBF-UHFFFAOYSA-N
XLogP2.37
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

dipropyl 2-[4-(1,3-dioxo-1,3-dipropoxypropan-2-ylidene)cyclohexa-2,5-dien-1-ylidene]propanedioate
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1-O-ethyl 2-O-propyl oxalate
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propyl 2-(1,3-dithiol-2-ylidene)-3-oxobutanoate
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propyl 2-oxopyrrolidine-1-carboxylate
CID 54526452
hydrazine;2-oxo-2-propoxyacetate
CID 22449370
propyl 2-pyrrolidin-1-ylprop-2-enoate
CID 146541157
propyl 2-cyclopentylprop-2-enoate
CID 174733277
azane;propyl 2-methylprop-2-enoate
CID 172812841
propyl 2-silylprop-2-enoate
CID 173152802
propyl 2-bromoprop-2-enoate
CID 71576373
oxolane;propyl 2-methylprop-2-enoate
CID 175153553
2-O-[2-(2-methylprop-2-enoyloxy)ethyl] 1-O-propyl oxalate
CID 153485149

Frequently Asked Questions

What is the IUPAC name of dipropyl 2-cyclobutylidenepropanedioate?
The IUPAC name of dipropyl 2-cyclobutylidenepropanedioate (CID 134607535) is dipropyl 2-cyclobutylidenepropanedioate.
What is the SMILES notation for dipropyl 2-cyclobutylidenepropanedioate?
The canonical SMILES for dipropyl 2-cyclobutylidenepropanedioate is CCCOC(=O)C(C(=O)OCCC)=C1CCC1.
What is the InChIKey of dipropyl 2-cyclobutylidenepropanedioate?
The InChIKey is VEBCAYOHYMFNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O4/c1-3-8-16-12(14)11(10-6-5-7-10)13(15)17-9-4-2/h3-9H2,1-2H3.
What are the key properties of dipropyl 2-cyclobutylidenepropanedioate?
dipropyl 2-cyclobutylidenepropanedioate has a molecular weight of 240.30 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dipropyl 2-cyclobutylidenepropanedioate is sourced from PubChem (CID 134607535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).