2-hydroxypropyl 2-methylprop-2-enoate;methyl prop-2-enoate

C11H18O5 — CID 174853602

IUPAC2-hydroxypropyl 2-methylprop-2-enoate;methyl prop-2-enoate
SMILESC=C(C)C(=O)OCC(C)O.C=CC(=O)OC
InChIInChI=1S/C7H12O3.C4H6O2/c1-5(2)7(9)10-4-6(3)8;1-3-4(5)6-2/h6,8H,1,4H2,2-3H3;3H,1H2,2H3
InChIKeyKBHFAAIQERJYKH-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.83
Rot. Bonds4

About 2-hydroxypropyl 2-methylprop-2-enoate;methyl prop-2-enoate

2-hydroxypropyl 2-methylprop-2-enoate;methyl prop-2-enoate (PubChem CID 174853602) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-hydroxypropyl 2-methylprop-2-enoate;methyl prop-2-enoate.

Molecular Properties

Compound Name2-hydroxypropyl 2-methylprop-2-enoate;methyl prop-2-enoate
PubChem CID174853602
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name2-hydroxypropyl 2-methylprop-2-enoate;methyl prop-2-enoate
SMILESC=C(C)C(=O)OCC(C)O.C=CC(=O)OC
InChIInChI=1S/C7H12O3.C4H6O2/c1-5(2)7(9)10-4-6(3)8;1-3-4(5)6-2/h6,8H,1,4H2,2-3H3;3H,1H2,2H3
InChIKeyKBHFAAIQERJYKH-UHFFFAOYSA-N
XLogP0.83
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.83
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

2-hydroxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 87196210
methyl prop-2-enoate;propan-2-yl 2-methylprop-2-enoate
CID 174883570
2-hydroxyethyl 2-methylprop-2-enoate;2-hydroxyethyl prop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate;2-hydroxypropyl prop-2-enoate
CID 159540810
butyl prop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate
CID 172788583
butyl 2-methylprop-2-enoate;2-methylpropane;methyl prop-2-enoate;2-methylpropyl 2-methylprop-2-enoate
CID 174913264
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-hydroxy-3-prop-2-enoyloxypropyl) 2-methylprop-2-enoate;methane;prop-2-enamide
CID 160685557
methyl 2-methylprop-2-enoate;2-methylpropyl prop-2-enoate;prop-2-enenitrile
CID 163917231
methyl prop-2-enoate;2,2,3,3-tetrafluoropropyl 2-methylprop-2-enoate
CID 174893406
2-(dimethylamino)ethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate
CID 159218034
2-(tert-butylamino)ethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate
CID 146520905

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropyl 2-methylprop-2-enoate;methyl prop-2-enoate?
The IUPAC name of 2-hydroxypropyl 2-methylprop-2-enoate;methyl prop-2-enoate (CID 174853602) is 2-hydroxypropyl 2-methylprop-2-enoate;methyl prop-2-enoate.
What is the SMILES notation for 2-hydroxypropyl 2-methylprop-2-enoate;methyl prop-2-enoate?
The canonical SMILES for 2-hydroxypropyl 2-methylprop-2-enoate;methyl prop-2-enoate is C=C(C)C(=O)OCC(C)O.C=CC(=O)OC.
What is the InChIKey of 2-hydroxypropyl 2-methylprop-2-enoate;methyl prop-2-enoate?
The InChIKey is KBHFAAIQERJYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3.C4H6O2/c1-5(2)7(9)10-4-6(3)8;1-3-4(5)6-2/h6,8H,1,4H2,2-3H3;3H,1H2,2H3.
What are the key properties of 2-hydroxypropyl 2-methylprop-2-enoate;methyl prop-2-enoate?
2-hydroxypropyl 2-methylprop-2-enoate;methyl prop-2-enoate has a molecular weight of 230.26 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropyl 2-methylprop-2-enoate;methyl prop-2-enoate is sourced from PubChem (CID 174853602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).