2-hydroxypropyl 2-methylprop-2-enoate

C7H12O3 — CID 13539

IUPAC2-hydroxypropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)O
InChIInChI=1S/C7H12O3/c1-5(2)7(9)10-4-6(3)8/h6,8H,1,4H2,2-3H3
InChIKeyVHSHLMUCYSAUQU-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.49
Rot. Bonds3

About 2-hydroxypropyl 2-methylprop-2-enoate

2-hydroxypropyl 2-methylprop-2-enoate (PubChem CID 13539) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 2-hydroxypropyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-hydroxypropyl 2-methylprop-2-enoate
PubChem CID13539
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name2-hydroxypropyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(C)O
InChIInChI=1S/C7H12O3/c1-5(2)7(9)10-4-6(3)8/h6,8H,1,4H2,2-3H3
InChIKeyVHSHLMUCYSAUQU-UHFFFAOYSA-N
XLogP0.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Hydroxyethyl Methacrylate
CID 13360
2-Hydroxypropyl acrylate
CID 61249
Hydroxypropyl Methacrylate
CID 34023
Isopropyl methacrylate
CID 20769
Glyceryl methacrylate
CID 65442
3-Chloro-2-hydroxypropylmethacrylate
CID 114470
Glycerol 1,3-dimethacrylate
CID 74594
2-Methoxyethyl methacrylate
CID 81466
1-(Acryloyloxy)-3-(methacryloyloxy)-2-propanol (stabilized with MEHQ)
CID 5062351
2-(2-Hydroxyethoxy)ethyl methacrylate
CID 11321244
2-(2-(2-(2-Hydroxyethoxy)ethoxy)ethoxy)ethyl methacrylate
CID 88829
2-Hydroxybutyl methacrylate
CID 4346656

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropyl 2-methylprop-2-enoate?
The IUPAC name of 2-hydroxypropyl 2-methylprop-2-enoate (CID 13539) is 2-hydroxypropyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-hydroxypropyl 2-methylprop-2-enoate?
The canonical SMILES for 2-hydroxypropyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC(C)O.
What is the InChIKey of 2-hydroxypropyl 2-methylprop-2-enoate?
The InChIKey is VHSHLMUCYSAUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-5(2)7(9)10-4-6(3)8/h6,8H,1,4H2,2-3H3.
What are the key properties of 2-hydroxypropyl 2-methylprop-2-enoate?
2-hydroxypropyl 2-methylprop-2-enoate has a molecular weight of 144.17 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropyl 2-methylprop-2-enoate is sourced from PubChem (CID 13539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).