(3-hydroxy-2-prop-2-enoyloxypropyl) 2-methylprop-2-enoate

C10H14O5 — CID 18459570

IUPAC(3-hydroxy-2-prop-2-enoyloxypropyl) 2-methylprop-2-enoate
SMILESC=CC(=O)OC(CO)COC(=O)C(=C)C
InChIInChI=1S/C10H14O5/c1-4-9(12)15-8(5-11)6-14-10(13)7(2)3/h4,8,11H,1-2,5-6H2,3H3
InChIKeyZCUBIPKXZDFIFT-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.20
Rot. Bonds6

About (3-hydroxy-2-prop-2-enoyloxypropyl) 2-methylprop-2-enoate

(3-hydroxy-2-prop-2-enoyloxypropyl) 2-methylprop-2-enoate (PubChem CID 18459570) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is (3-hydroxy-2-prop-2-enoyloxypropyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(3-hydroxy-2-prop-2-enoyloxypropyl) 2-methylprop-2-enoate
PubChem CID18459570
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name(3-hydroxy-2-prop-2-enoyloxypropyl) 2-methylprop-2-enoate
SMILESC=CC(=O)OC(CO)COC(=O)C(=C)C
InChIInChI=1S/C10H14O5/c1-4-9(12)15-8(5-11)6-14-10(13)7(2)3/h4,8,11H,1-2,5-6H2,3H3
InChIKeyZCUBIPKXZDFIFT-UHFFFAOYSA-N
XLogP0.20
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2-prop-2-enoyloxypropyl) 2-methylprop-2-enoate?
The IUPAC name of (3-hydroxy-2-prop-2-enoyloxypropyl) 2-methylprop-2-enoate (CID 18459570) is (3-hydroxy-2-prop-2-enoyloxypropyl) 2-methylprop-2-enoate.
What is the SMILES notation for (3-hydroxy-2-prop-2-enoyloxypropyl) 2-methylprop-2-enoate?
The canonical SMILES for (3-hydroxy-2-prop-2-enoyloxypropyl) 2-methylprop-2-enoate is C=CC(=O)OC(CO)COC(=O)C(=C)C.
What is the InChIKey of (3-hydroxy-2-prop-2-enoyloxypropyl) 2-methylprop-2-enoate?
The InChIKey is ZCUBIPKXZDFIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c1-4-9(12)15-8(5-11)6-14-10(13)7(2)3/h4,8,11H,1-2,5-6H2,3H3.
What are the key properties of (3-hydroxy-2-prop-2-enoyloxypropyl) 2-methylprop-2-enoate?
(3-hydroxy-2-prop-2-enoyloxypropyl) 2-methylprop-2-enoate has a molecular weight of 214.22 g/mol, XLogP of 0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2-prop-2-enoyloxypropyl) 2-methylprop-2-enoate is sourced from PubChem (CID 18459570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).