methyl 2-(hydroxymethyl)prop-2-enoate;methyl 2-methylprop-2-enoate

C10H16O5 — CID 87324590

IUPACmethyl 2-(hydroxymethyl)prop-2-enoate;methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.C=C(CO)C(=O)OC
InChIInChI=1S/C5H8O3.C5H8O2/c1-4(3-6)5(7)8-2;1-4(2)5(6)7-3/h6H,1,3H2,2H3;1H2,2-3H3
InChIKeyPIOUBWDWKJJYQM-UHFFFAOYSA-N
MW216.23 g/mol
LogP0.44
Rot. Bonds3

About methyl 2-(hydroxymethyl)prop-2-enoate;methyl 2-methylprop-2-enoate

methyl 2-(hydroxymethyl)prop-2-enoate;methyl 2-methylprop-2-enoate (PubChem CID 87324590) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is methyl 2-(hydroxymethyl)prop-2-enoate;methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namemethyl 2-(hydroxymethyl)prop-2-enoate;methyl 2-methylprop-2-enoate
PubChem CID87324590
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Namemethyl 2-(hydroxymethyl)prop-2-enoate;methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.C=C(CO)C(=O)OC
InChIInChI=1S/C5H8O3.C5H8O2/c1-4(3-6)5(7)8-2;1-4(2)5(6)7-3/h6H,1,3H2,2H3;1H2,2-3H3
InChIKeyPIOUBWDWKJJYQM-UHFFFAOYSA-N
XLogP0.44
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 50.44
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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Related Compounds

Methyl 2-(hydroxymethyl)prop-2-enoate
CID 11815329
Ethyl 2-(hydroxymethyl)-2-propenoate
CID 24827
2-(Hydroxymethyl)-2-(((2-methyl-1-oxoallyl)oxy)methyl)-1,3-propanediyl bismethacrylate
CID 77057
2-Butenoic acid, 2-methyl-, 2-carboxy-2-butenyl ester, (Z,Z)-
CID 6440421
Pentaerythritol monomethacrylate
CID 10219877
t-Butyl hydroxymethylacrylate
CID 10329532
3-[(2-Methylprop-2-enoyl)oxy]propanoic acid
CID 14496498
2-Propenoic acid, 2-methyl-, 1,1'-(2,2-bis(hydroxymethyl)-1,3-propanediyl) ester
CID 117876
methyl (E)-4-hydroxy-2-[[(E)-2-(hydroxymethyl)but-2-enoyl]oxymethyl]but-2-enoate
CID 162667640
2-(Dimethoxymethyl)prop-2-enoic acid
CID 19785759
2-(Methoxymethyl)prop-2-enoic acid
CID 21474940
2-((Propan-2-yloxy)methyl)prop-2-enoic acid
CID 64116642

Frequently Asked Questions

What is the IUPAC name of methyl 2-(hydroxymethyl)prop-2-enoate;methyl 2-methylprop-2-enoate?
The IUPAC name of methyl 2-(hydroxymethyl)prop-2-enoate;methyl 2-methylprop-2-enoate (CID 87324590) is methyl 2-(hydroxymethyl)prop-2-enoate;methyl 2-methylprop-2-enoate.
What is the SMILES notation for methyl 2-(hydroxymethyl)prop-2-enoate;methyl 2-methylprop-2-enoate?
The canonical SMILES for methyl 2-(hydroxymethyl)prop-2-enoate;methyl 2-methylprop-2-enoate is C=C(C)C(=O)OC.C=C(CO)C(=O)OC.
What is the InChIKey of methyl 2-(hydroxymethyl)prop-2-enoate;methyl 2-methylprop-2-enoate?
The InChIKey is PIOUBWDWKJJYQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3.C5H8O2/c1-4(3-6)5(7)8-2;1-4(2)5(6)7-3/h6H,1,3H2,2H3;1H2,2-3H3.
What are the key properties of methyl 2-(hydroxymethyl)prop-2-enoate;methyl 2-methylprop-2-enoate?
methyl 2-(hydroxymethyl)prop-2-enoate;methyl 2-methylprop-2-enoate has a molecular weight of 216.23 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(hydroxymethyl)prop-2-enoate;methyl 2-methylprop-2-enoate is sourced from PubChem (CID 87324590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).