butyl prop-2-enoate;ethenyl acetate

C11H18O4 — CID 23373234

IUPACbutyl prop-2-enoate;ethenyl acetate
SMILESC=CC(=O)OCCCC.C=COC(C)=O
InChIInChI=1S/C7H12O2.C4H6O2/c1-3-5-6-9-7(8)4-2;1-3-6-4(2)5/h4H,2-3,5-6H2,1H3;3H,1H2,2H3
InChIKeyFXBZWPXBAZFWIY-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.21
Rot. Bonds5

About butyl prop-2-enoate;ethenyl acetate

butyl prop-2-enoate;ethenyl acetate (PubChem CID 23373234) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is butyl prop-2-enoate;ethenyl acetate.

Molecular Properties

Compound Namebutyl prop-2-enoate;ethenyl acetate
PubChem CID23373234
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Namebutyl prop-2-enoate;ethenyl acetate
SMILESC=CC(=O)OCCCC.C=COC(C)=O
InChIInChI=1S/C7H12O2.C4H6O2/c1-3-5-6-9-7(8)4-2;1-3-6-4(2)5/h4H,2-3,5-6H2,1H3;3H,1H2,2H3
InChIKeyFXBZWPXBAZFWIY-UHFFFAOYSA-N
XLogP2.21
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.21
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

butyl prop-2-enoate;ethenyl acetate;2-hydroxyethyl prop-2-enoate
CID 158722380
ethenyl acetate;octyl prop-2-enoate
CID 22497770
butyl prop-2-enoate;ethenyl acetate;2-methylprop-2-enoic acid
CID 159202277
4-butoxy-4-oxobut-2-enoic acid;ethenyl acetate
CID 173368296
butan-2-one;butyl prop-2-enoate
CID 88737685
acetic acid;butyl prop-2-enoate;prop-2-enoic acid
CID 159700661
butyl prop-2-enoate;ethenyl acetate;hexyl 2-methylidenebutanoate;prop-2-enyl prop-2-enoate
CID 173347288
butyl prop-2-enoate;bis(ethyl prop-2-enoate)
CID 174617066
4-decoxy-4-oxobut-2-enoic acid;ethenyl acetate
CID 162224725
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669
hexyl prop-2-enoate
CID 17259
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650

Frequently Asked Questions

What is the IUPAC name of butyl prop-2-enoate;ethenyl acetate?
The IUPAC name of butyl prop-2-enoate;ethenyl acetate (CID 23373234) is butyl prop-2-enoate;ethenyl acetate.
What is the SMILES notation for butyl prop-2-enoate;ethenyl acetate?
The canonical SMILES for butyl prop-2-enoate;ethenyl acetate is C=CC(=O)OCCCC.C=COC(C)=O.
What is the InChIKey of butyl prop-2-enoate;ethenyl acetate?
The InChIKey is FXBZWPXBAZFWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.C4H6O2/c1-3-5-6-9-7(8)4-2;1-3-6-4(2)5/h4H,2-3,5-6H2,1H3;3H,1H2,2H3.
What are the key properties of butyl prop-2-enoate;ethenyl acetate?
butyl prop-2-enoate;ethenyl acetate has a molecular weight of 214.26 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl prop-2-enoate;ethenyl acetate is sourced from PubChem (CID 23373234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).