butyl cyclobutene-1-carboxylate;ethenyl acetate

C13H20O4 — CID 87747316

IUPACbutyl cyclobutene-1-carboxylate;ethenyl acetate
SMILESC=COC(C)=O.CCCCOC(=O)C1=CCC1
InChIInChI=1S/C9H14O2.C4H6O2/c1-2-3-7-11-9(10)8-5-4-6-8;1-3-6-4(2)5/h5H,2-4,6-7H2,1H3;3H,1H2,2H3
InChIKeyZAMRYKRWXHSTOV-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.74
Rot. Bonds5

About butyl cyclobutene-1-carboxylate;ethenyl acetate

butyl cyclobutene-1-carboxylate;ethenyl acetate (PubChem CID 87747316) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is butyl cyclobutene-1-carboxylate;ethenyl acetate.

Molecular Properties

Compound Namebutyl cyclobutene-1-carboxylate;ethenyl acetate
PubChem CID87747316
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Namebutyl cyclobutene-1-carboxylate;ethenyl acetate
SMILESC=COC(C)=O.CCCCOC(=O)C1=CCC1
InChIInChI=1S/C9H14O2.C4H6O2/c1-2-3-7-11-9(10)8-5-4-6-8;1-3-6-4(2)5/h5H,2-4,6-7H2,1H3;3H,1H2,2H3
InChIKeyZAMRYKRWXHSTOV-UHFFFAOYSA-N
XLogP2.74
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

butyl prop-2-enoate;ethenyl acetate
CID 23373234
butyl prop-2-enoate;cyclobutene-1-carboxylic acid
CID 87104912
ethenyl acetate;propyl 2-heptylcyclobutene-1-carboxylate
CID 121317149
pentyl cyclopentene-1-carboxylate
CID 86197593
ethenyl acetate;octadecane
CID 161470611
ethenyl acetate;heptane
CID 19104449
4-butoxy-4-oxobut-2-enoic acid;ethenyl acetate
CID 173368296
butyl cyclobutene-1-carboxylate;methyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 118898604
butyl prop-2-enoate;ethenyl acetate;2-hydroxyethyl prop-2-enoate
CID 158722380
butyl prop-2-enoate;1-chlorocyclobutene
CID 88629604
ethenyl acetate;octyl prop-2-enoate
CID 22497770
butyl prop-2-enoate;ethenyl acetate;2-methylprop-2-enoic acid
CID 159202277

Frequently Asked Questions

What is the IUPAC name of butyl cyclobutene-1-carboxylate;ethenyl acetate?
The IUPAC name of butyl cyclobutene-1-carboxylate;ethenyl acetate (CID 87747316) is butyl cyclobutene-1-carboxylate;ethenyl acetate.
What is the SMILES notation for butyl cyclobutene-1-carboxylate;ethenyl acetate?
The canonical SMILES for butyl cyclobutene-1-carboxylate;ethenyl acetate is C=COC(C)=O.CCCCOC(=O)C1=CCC1.
What is the InChIKey of butyl cyclobutene-1-carboxylate;ethenyl acetate?
The InChIKey is ZAMRYKRWXHSTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2.C4H6O2/c1-2-3-7-11-9(10)8-5-4-6-8;1-3-6-4(2)5/h5H,2-4,6-7H2,1H3;3H,1H2,2H3.
What are the key properties of butyl cyclobutene-1-carboxylate;ethenyl acetate?
butyl cyclobutene-1-carboxylate;ethenyl acetate has a molecular weight of 240.30 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl cyclobutene-1-carboxylate;ethenyl acetate is sourced from PubChem (CID 87747316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).