prop-2-enoyl 2-butyl-2-ethenylhexanoate

C15H24O3 — CID 174599974

IUPACprop-2-enoyl 2-butyl-2-ethenylhexanoate
SMILESC=CC(=O)OC(=O)C(C=C)(CCCC)CCCC
InChIInChI=1S/C15H24O3/c1-5-9-11-15(8-4,12-10-6-2)14(17)18-13(16)7-3/h7-8H,3-6,9-12H2,1-2H3
InChIKeyCKVKOMOYXLIVHE-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.80
Rot. Bonds9

About prop-2-enoyl 2-butyl-2-ethenylhexanoate

prop-2-enoyl 2-butyl-2-ethenylhexanoate (PubChem CID 174599974) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is prop-2-enoyl 2-butyl-2-ethenylhexanoate.

Molecular Properties

Compound Nameprop-2-enoyl 2-butyl-2-ethenylhexanoate
PubChem CID174599974
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Nameprop-2-enoyl 2-butyl-2-ethenylhexanoate
SMILESC=CC(=O)OC(=O)C(C=C)(CCCC)CCCC
InChIInChI=1S/C15H24O3/c1-5-9-11-15(8-4,12-10-6-2)14(17)18-13(16)7-3/h7-8H,3-6,9-12H2,1-2H3
InChIKeyCKVKOMOYXLIVHE-UHFFFAOYSA-N
XLogP3.80
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enoyl 2,2-dimethylpentanoate
CID 164546657
ethyl 2-ethenyl-2-ethylhexanoate
CID 12647087
4-prop-2-enoyloxyoctan-4-yl prop-2-enoate
CID 141007070
3-ethenyl-3-prop-2-enylheptan-2-one
CID 20501801
prop-2-enoyl tetradecanoate
CID 157201572
4-ethyloctan-4-yl prop-2-enoate
CID 164546411
7-pentyltridecan-7-yl prop-2-enoate
CID 166072578
3-ethenyl-3-ethylhexadecan-2-one
CID 87804881
2-butyl-2-methyl-3-prop-2-enoyloxybutanedioic acid
CID 174502255
[(E)-oct-2-en-2-yl] prop-2-enoate
CID 50900903
prop-2-enoyl 2-methylideneheptanoate
CID 87194277
azane;octyl prop-2-enoate
CID 175482602

Frequently Asked Questions

What is the IUPAC name of prop-2-enoyl 2-butyl-2-ethenylhexanoate?
The IUPAC name of prop-2-enoyl 2-butyl-2-ethenylhexanoate (CID 174599974) is prop-2-enoyl 2-butyl-2-ethenylhexanoate.
What is the SMILES notation for prop-2-enoyl 2-butyl-2-ethenylhexanoate?
The canonical SMILES for prop-2-enoyl 2-butyl-2-ethenylhexanoate is C=CC(=O)OC(=O)C(C=C)(CCCC)CCCC.
What is the InChIKey of prop-2-enoyl 2-butyl-2-ethenylhexanoate?
The InChIKey is CKVKOMOYXLIVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-5-9-11-15(8-4,12-10-6-2)14(17)18-13(16)7-3/h7-8H,3-6,9-12H2,1-2H3.
What are the key properties of prop-2-enoyl 2-butyl-2-ethenylhexanoate?
prop-2-enoyl 2-butyl-2-ethenylhexanoate has a molecular weight of 252.35 g/mol, XLogP of 3.80, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enoyl 2-butyl-2-ethenylhexanoate is sourced from PubChem (CID 174599974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).