2-hydroxypropanoic acid;prop-2-enoxymethyl 2-methylprop-2-enoate

C11H18O6 — CID 118254217

IUPAC2-hydroxypropanoic acid;prop-2-enoxymethyl 2-methylprop-2-enoate
SMILESC=CCOCOC(=O)C(=C)C.CC(O)C(=O)O
InChIInChI=1S/C8H12O3.C3H6O3/c1-4-5-10-6-11-8(9)7(2)3;1-2(4)3(5)6/h4H,1-2,5-6H2,3H3;2,4H,1H3,(H,5,6)
InChIKeyYGGUQBMXNAPBKU-UHFFFAOYSA-N
MW246.26 g/mol
LogP0.72
Rot. Bonds6

About 2-hydroxypropanoic acid;prop-2-enoxymethyl 2-methylprop-2-enoate

2-hydroxypropanoic acid;prop-2-enoxymethyl 2-methylprop-2-enoate (PubChem CID 118254217) has the molecular formula C11H18O6 and a molecular weight of 246.26 g/mol. Its IUPAC name is 2-hydroxypropanoic acid;prop-2-enoxymethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-hydroxypropanoic acid;prop-2-enoxymethyl 2-methylprop-2-enoate
PubChem CID118254217
Molecular FormulaC11H18O6
Molecular Weight246.26 g/mol
Exact Mass246.11
IUPAC Name2-hydroxypropanoic acid;prop-2-enoxymethyl 2-methylprop-2-enoate
SMILESC=CCOCOC(=O)C(=C)C.CC(O)C(=O)O
InChIInChI=1S/C8H12O3.C3H6O3/c1-4-5-10-6-11-8(9)7(2)3;1-2(4)3(5)6/h4H,1-2,5-6H2,3H3;2,4H,1H3,(H,5,6)
InChIKeyYGGUQBMXNAPBKU-UHFFFAOYSA-N
XLogP0.72
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-hydroxypropanoic acid;prop-2-enoxymethyl 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethoxyethane;prop-2-enyl 2-methylprop-2-enoate
CID 87074537
4-(2-methylprop-2-enoyloxymethoxy)butoxymethyl 2-methylprop-2-enoate
CID 58944381
4-methylpentan-2-yloxymethyl 2-methylprop-2-enoate
CID 59189148
prop-2-enoxymethyl 6-methoxy-2-methylhept-2-enoate
CID 174057656
2-methylbut-2-enoic acid;prop-2-enyl 2-methylprop-2-enoate
CID 173460089
methyl 2-hydroxyprop-2-enoate;prop-2-enyl 2-methylprop-2-enoate
CID 175307353
2-hydroxypropanethioic S-acid;3-prop-2-enoxyprop-1-ene
CID 86631788
[2-[[3-hydroxy-2-(hydroxymethyl)propoxy]methyl]-3-prop-2-enoxy-2-(prop-2-enoxymethyl)propyl] 2-methylprop-2-enoate
CID 58113025
1-fluoroethoxymethyl 2-methylprop-2-enoate
CID 59816439
2-hydroxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 87196210
1,4-bis(ethenyl)benzene;prop-2-enyl 2-methylprop-2-enoate
CID 174791645
prop-2-enoxymethyl 5-methoxy-2-methylpent-2-enoate
CID 174057728

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropanoic acid;prop-2-enoxymethyl 2-methylprop-2-enoate?
The IUPAC name of 2-hydroxypropanoic acid;prop-2-enoxymethyl 2-methylprop-2-enoate (CID 118254217) is 2-hydroxypropanoic acid;prop-2-enoxymethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-hydroxypropanoic acid;prop-2-enoxymethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-hydroxypropanoic acid;prop-2-enoxymethyl 2-methylprop-2-enoate is C=CCOCOC(=O)C(=C)C.CC(O)C(=O)O.
What is the InChIKey of 2-hydroxypropanoic acid;prop-2-enoxymethyl 2-methylprop-2-enoate?
The InChIKey is YGGUQBMXNAPBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3.C3H6O3/c1-4-5-10-6-11-8(9)7(2)3;1-2(4)3(5)6/h4H,1-2,5-6H2,3H3;2,4H,1H3,(H,5,6).
What are the key properties of 2-hydroxypropanoic acid;prop-2-enoxymethyl 2-methylprop-2-enoate?
2-hydroxypropanoic acid;prop-2-enoxymethyl 2-methylprop-2-enoate has a molecular weight of 246.26 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropanoic acid;prop-2-enoxymethyl 2-methylprop-2-enoate is sourced from PubChem (CID 118254217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).