3-prop-2-enoyloxypropyl 3-oxobutanoate

C10H14O5 — CID 10104672

IUPAC3-prop-2-enoyloxypropyl 3-oxobutanoate
SMILESC=CC(=O)OCCCOC(=O)CC(C)=O
InChIInChI=1S/C10H14O5/c1-3-9(12)14-5-4-6-15-10(13)7-8(2)11/h3H,1,4-7H2,2H3
InChIKeyFJKZPONBPMKPLO-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.63
Rot. Bonds7

About 3-prop-2-enoyloxypropyl 3-oxobutanoate

3-prop-2-enoyloxypropyl 3-oxobutanoate (PubChem CID 10104672) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is 3-prop-2-enoyloxypropyl 3-oxobutanoate.

Molecular Properties

Compound Name3-prop-2-enoyloxypropyl 3-oxobutanoate
PubChem CID10104672
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name3-prop-2-enoyloxypropyl 3-oxobutanoate
SMILESC=CC(=O)OCCCOC(=O)CC(C)=O
InChIInChI=1S/C10H14O5/c1-3-9(12)14-5-4-6-15-10(13)7-8(2)11/h3H,1,4-7H2,2H3
InChIKeyFJKZPONBPMKPLO-UHFFFAOYSA-N
XLogP0.63
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Allyl acetoacetate
CID 70701
3-Ethoxy-3-oxopropyl acrylate
CID 14496496
3-[(2-Methylacryloyl)oxy]propyl 3-oxobutanoate
CID 20789162
Acetoacetoxyethyl acrylate
CID 4372816
Bis(3-oxobutanoyl) but-2-enedioate
CID 54500676
2-Butyrylethyl acrylate
CID 58805559
bis(3-oxobutanoyl) (E)-but-2-enedioate
CID 87650806
1-Methyl-2-[(1-oxoallyl)oxy]ethyl acetoacetate
CID 122531
4-Prop-2-enoyloxybutyl 3-oxobutanoate
CID 10421292
[2-(3-Oxobutanoyloxy)-3-prop-2-enoxypropyl] 3-oxobutanoate
CID 53471822
prop-2-enyl (E)-5-methoxy-3-oxopent-4-enoate
CID 11171379
[2,2-Bis(carbomethoxy)ethyl]acrylate
CID 129721440

Frequently Asked Questions

What is the IUPAC name of 3-prop-2-enoyloxypropyl 3-oxobutanoate?
The IUPAC name of 3-prop-2-enoyloxypropyl 3-oxobutanoate (CID 10104672) is 3-prop-2-enoyloxypropyl 3-oxobutanoate.
What is the SMILES notation for 3-prop-2-enoyloxypropyl 3-oxobutanoate?
The canonical SMILES for 3-prop-2-enoyloxypropyl 3-oxobutanoate is C=CC(=O)OCCCOC(=O)CC(C)=O.
What is the InChIKey of 3-prop-2-enoyloxypropyl 3-oxobutanoate?
The InChIKey is FJKZPONBPMKPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-3-9(12)14-5-4-6-15-10(13)7-8(2)11/h3H,1,4-7H2,2H3.
What are the key properties of 3-prop-2-enoyloxypropyl 3-oxobutanoate?
3-prop-2-enoyloxypropyl 3-oxobutanoate has a molecular weight of 214.22 g/mol, XLogP of 0.63, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enoyloxypropyl 3-oxobutanoate is sourced from PubChem (CID 10104672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).