2-butanoyloxyethyl pent-2-enoate

C11H18O4 — CID 173000504

IUPAC2-butanoyloxyethyl pent-2-enoate
SMILESCCC=CC(=O)OCCOC(=O)CCC
InChIInChI=1S/C11H18O4/c1-3-5-7-11(13)15-9-8-14-10(12)6-4-2/h5,7H,3-4,6,8-9H2,1-2H3
InChIKeyKDFQTKYSCWQUPR-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.84
Rot. Bonds7

About 2-butanoyloxyethyl pent-2-enoate

2-butanoyloxyethyl pent-2-enoate (PubChem CID 173000504) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-butanoyloxyethyl pent-2-enoate.

Molecular Properties

Compound Name2-butanoyloxyethyl pent-2-enoate
PubChem CID173000504
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name2-butanoyloxyethyl pent-2-enoate
SMILESCCC=CC(=O)OCCOC(=O)CCC
InChIInChI=1S/C11H18O4/c1-3-5-7-11(13)15-9-8-14-10(12)6-4-2/h5,7H,3-4,6,8-9H2,1-2H3
InChIKeyKDFQTKYSCWQUPR-UHFFFAOYSA-N
XLogP1.84
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-butanoyloxyethyl butanoate;methane
CID 161018761
5-butanoyloxypent-2-enoic acid
CID 162252615
bis(2-methoxyethyl) (E)-hex-2-enedioate
CID 122378069
ethyl (Z)-pent-2-enoate
CID 11332473
nona-3,6-dienyl butanoate
CID 175586179
6-butanoyloxyhex-2-enoic acid
CID 158638113
butanoic acid;[(Z)-hex-3-enyl] butanoate
CID 87303713
2-carboxyoxyethyl butanoate
CID 140975603
methane;propyl butanoate
CID 157187060
2-aminoethyl pent-2-enoate;sulfuric acid
CID 174928511
3-docosa-4,7,10,13,16,19-hexaenoyloxypropyl tetracos-2-enoate
CID 91331786
2-methoxyethyl butanoate;tris(prop-1-ene)
CID 173481556

Frequently Asked Questions

What is the IUPAC name of 2-butanoyloxyethyl pent-2-enoate?
The IUPAC name of 2-butanoyloxyethyl pent-2-enoate (CID 173000504) is 2-butanoyloxyethyl pent-2-enoate.
What is the SMILES notation for 2-butanoyloxyethyl pent-2-enoate?
The canonical SMILES for 2-butanoyloxyethyl pent-2-enoate is CCC=CC(=O)OCCOC(=O)CCC.
What is the InChIKey of 2-butanoyloxyethyl pent-2-enoate?
The InChIKey is KDFQTKYSCWQUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-3-5-7-11(13)15-9-8-14-10(12)6-4-2/h5,7H,3-4,6,8-9H2,1-2H3.
What are the key properties of 2-butanoyloxyethyl pent-2-enoate?
2-butanoyloxyethyl pent-2-enoate has a molecular weight of 214.26 g/mol, XLogP of 1.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butanoyloxyethyl pent-2-enoate is sourced from PubChem (CID 173000504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).