2-hydroxypropyl prop-2-enoate;3-prop-2-enoyloxypropanoic acid

C12H18O7 — CID 87645006

IUPAC2-hydroxypropyl prop-2-enoate;3-prop-2-enoyloxypropanoic acid
SMILESC=CC(=O)OCC(C)O.C=CC(=O)OCCC(=O)O
InChIInChI=1S/C6H8O4.C6H10O3/c1-2-6(9)10-4-3-5(7)8;1-3-6(8)9-4-5(2)7/h2H,1,3-4H2,(H,7,8);3,5,7H,1,4H2,2H3
InChIKeyIYOXAVLTGVWLFS-UHFFFAOYSA-N
MW274.27 g/mol
LogP0.29
Rot. Bonds7

About 2-hydroxypropyl prop-2-enoate;3-prop-2-enoyloxypropanoic acid

2-hydroxypropyl prop-2-enoate;3-prop-2-enoyloxypropanoic acid (PubChem CID 87645006) has the molecular formula C12H18O7 and a molecular weight of 274.27 g/mol. Its IUPAC name is 2-hydroxypropyl prop-2-enoate;3-prop-2-enoyloxypropanoic acid.

Molecular Properties

Compound Name2-hydroxypropyl prop-2-enoate;3-prop-2-enoyloxypropanoic acid
PubChem CID87645006
Molecular FormulaC12H18O7
Molecular Weight274.27 g/mol
Exact Mass274.11
IUPAC Name2-hydroxypropyl prop-2-enoate;3-prop-2-enoyloxypropanoic acid
SMILESC=CC(=O)OCC(C)O.C=CC(=O)OCCC(=O)O
InChIInChI=1S/C6H8O4.C6H10O3/c1-2-6(9)10-4-3-5(7)8;1-3-6(8)9-4-5(2)7/h2H,1,3-4H2,(H,7,8);3,5,7H,1,4H2,2H3
InChIKeyIYOXAVLTGVWLFS-UHFFFAOYSA-N
XLogP0.29
TPSA110.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(3-prop-2-enoyloxypropanoyloxy)propanoyloxy]propanoic acid
CID 170162415
butyl prop-2-enoate;3-prop-2-enoyloxypropanoic acid
CID 159949412
2-hydroxypropyl 2-methyl-3-prop-2-enoyloxypropanoate
CID 151533065
2-butoxyethyl prop-2-enoate;2-hydroxypropyl prop-2-enoate
CID 88684060
ethyl prop-2-enoate;propane-1,2-diol;prop-2-enoic acid
CID 174768003
2-methyl-3-oxo-5-prop-2-enoyloxypentanoic acid
CID 141428250
2-[2-[2-(2-hydroxypropoxy)propoxy]propoxy]propyl prop-2-enoate
CID 21458421
2-chloropropyl prop-2-enoate;prop-2-enoic acid
CID 175785601
2-hydroxypropyl prop-2-enoate;phosphono prop-2-enoate
CID 174553510
carboxymethyl-dimethyl-(1-prop-2-enoyloxypropan-2-yl)azanium
CID 90396677
2-hydroxypropyl prop-2-enoate;2-methyloxirane
CID 87793859
2-hydroxyethyl prop-2-enoate;2-methylprop-2-enoic acid;propane-1,2-diol
CID 159522271

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropyl prop-2-enoate;3-prop-2-enoyloxypropanoic acid?
The IUPAC name of 2-hydroxypropyl prop-2-enoate;3-prop-2-enoyloxypropanoic acid (CID 87645006) is 2-hydroxypropyl prop-2-enoate;3-prop-2-enoyloxypropanoic acid.
What is the SMILES notation for 2-hydroxypropyl prop-2-enoate;3-prop-2-enoyloxypropanoic acid?
The canonical SMILES for 2-hydroxypropyl prop-2-enoate;3-prop-2-enoyloxypropanoic acid is C=CC(=O)OCC(C)O.C=CC(=O)OCCC(=O)O.
What is the InChIKey of 2-hydroxypropyl prop-2-enoate;3-prop-2-enoyloxypropanoic acid?
The InChIKey is IYOXAVLTGVWLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O4.C6H10O3/c1-2-6(9)10-4-3-5(7)8;1-3-6(8)9-4-5(2)7/h2H,1,3-4H2,(H,7,8);3,5,7H,1,4H2,2H3.
What are the key properties of 2-hydroxypropyl prop-2-enoate;3-prop-2-enoyloxypropanoic acid?
2-hydroxypropyl prop-2-enoate;3-prop-2-enoyloxypropanoic acid has a molecular weight of 274.27 g/mol, XLogP of 0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropyl prop-2-enoate;3-prop-2-enoyloxypropanoic acid is sourced from PubChem (CID 87645006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).