2-hydroxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid

C11H18O5 — CID 87196210

IUPAC2-hydroxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.C=C(C)C(=O)OCC(C)O
InChIInChI=1S/C7H12O3.C4H6O2/c1-5(2)7(9)10-4-6(3)8;1-3(2)4(5)6/h6,8H,1,4H2,2-3H3;1H2,2H3,(H,5,6)
InChIKeySGIIOANHPUIACV-UHFFFAOYSA-N
MW230.26 g/mol
LogP1.13
Rot. Bonds4

About 2-hydroxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid

2-hydroxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid (PubChem CID 87196210) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-hydroxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid.

Molecular Properties

Compound Name2-hydroxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
PubChem CID87196210
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name2-hydroxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.C=C(C)C(=O)OCC(C)O
InChIInChI=1S/C7H12O3.C4H6O2/c1-5(2)7(9)10-4-6(3)8;1-3(2)4(5)6/h6,8H,1,4H2,2-3H3;1H2,2H3,(H,5,6)
InChIKeySGIIOANHPUIACV-UHFFFAOYSA-N
XLogP1.13
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethylmethanamine;2-hydroxypropyl 2-methylprop-2-enoate;hydrochloride
CID 87121753
butane-1,4-diol;2-hydroxypropyl 2-methylprop-2-enoate
CID 87278867
2-hydroxypropyl carbamate;2-methylprop-2-enoic acid
CID 19939665
2-hydroxypropyl 2-methylprop-2-enoate;methyl prop-2-enoate
CID 174853602
2-(dimethylamino)ethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate
CID 159218034
2-hydroxyethyl 2-methylprop-2-enoate;hydroxymethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate;methane
CID 158577416
2,3-dihydroxybutyl 2-methylprop-2-enoate
CID 22149440
[3-hydroxy-2-methyl-4-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 19428941
2-(tert-butylamino)ethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate
CID 146520905
2,3-dimethylbutyl 2-methylprop-2-enoate
CID 18361655
zinc bis(2-methyl-3-(2-methylprop-2-enoyloxy)propanoate)
CID 160963047
2-hydroxyethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate;2-hydroxypropyl prop-2-enoate
CID 159540810

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid?
The IUPAC name of 2-hydroxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid (CID 87196210) is 2-hydroxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid.
What is the SMILES notation for 2-hydroxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid?
The canonical SMILES for 2-hydroxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid is C=C(C)C(=O)O.C=C(C)C(=O)OCC(C)O.
What is the InChIKey of 2-hydroxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid?
The InChIKey is SGIIOANHPUIACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3.C4H6O2/c1-5(2)7(9)10-4-6(3)8;1-3(2)4(5)6/h6,8H,1,4H2,2-3H3;1H2,2H3,(H,5,6).
What are the key properties of 2-hydroxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid?
2-hydroxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid has a molecular weight of 230.26 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid is sourced from PubChem (CID 87196210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).