propyl 2-hydroxy-3-prop-2-enoyloxyprop-2-enoate

C9H12O5 — CID 141320974

IUPACpropyl 2-hydroxy-3-prop-2-enoyloxyprop-2-enoate
SMILESC=CC(=O)OC=C(O)C(=O)OCCC
InChIInChI=1S/C9H12O5/c1-3-5-13-9(12)7(10)6-14-8(11)4-2/h4,6,10H,2-3,5H2,1H3
InChIKeyQGEBYFKLYLORNG-UHFFFAOYSA-N
MW200.19 g/mol
LogP1.07
Rot. Bonds5

About propyl 2-hydroxy-3-prop-2-enoyloxyprop-2-enoate

propyl 2-hydroxy-3-prop-2-enoyloxyprop-2-enoate (PubChem CID 141320974) has the molecular formula C9H12O5 and a molecular weight of 200.19 g/mol. Its IUPAC name is propyl 2-hydroxy-3-prop-2-enoyloxyprop-2-enoate.

Molecular Properties

Compound Namepropyl 2-hydroxy-3-prop-2-enoyloxyprop-2-enoate
PubChem CID141320974
Molecular FormulaC9H12O5
Molecular Weight200.19 g/mol
Exact Mass200.07
IUPAC Namepropyl 2-hydroxy-3-prop-2-enoyloxyprop-2-enoate
SMILESC=CC(=O)OC=C(O)C(=O)OCCC
InChIInChI=1S/C9H12O5/c1-3-5-13-9(12)7(10)6-14-8(11)4-2/h4,6,10H,2-3,5H2,1H3
InChIKeyQGEBYFKLYLORNG-UHFFFAOYSA-N
XLogP1.07
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of propyl 2-hydroxy-3-prop-2-enoyloxyprop-2-enoate?
The IUPAC name of propyl 2-hydroxy-3-prop-2-enoyloxyprop-2-enoate (CID 141320974) is propyl 2-hydroxy-3-prop-2-enoyloxyprop-2-enoate.
What is the SMILES notation for propyl 2-hydroxy-3-prop-2-enoyloxyprop-2-enoate?
The canonical SMILES for propyl 2-hydroxy-3-prop-2-enoyloxyprop-2-enoate is C=CC(=O)OC=C(O)C(=O)OCCC.
What is the InChIKey of propyl 2-hydroxy-3-prop-2-enoyloxyprop-2-enoate?
The InChIKey is QGEBYFKLYLORNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O5/c1-3-5-13-9(12)7(10)6-14-8(11)4-2/h4,6,10H,2-3,5H2,1H3.
What are the key properties of propyl 2-hydroxy-3-prop-2-enoyloxyprop-2-enoate?
propyl 2-hydroxy-3-prop-2-enoyloxyprop-2-enoate has a molecular weight of 200.19 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-hydroxy-3-prop-2-enoyloxyprop-2-enoate is sourced from PubChem (CID 141320974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).