2-hydroxyethyl 2-methylprop-2-enoate;2-methylpropan-2-ol

C10H20O4 — CID 161086625

IUPAC2-hydroxyethyl 2-methylprop-2-enoate;2-methylpropan-2-ol
SMILESC=C(C)C(=O)OCCO.CC(C)(C)O
InChIInChI=1S/C6H10O3.C4H10O/c1-5(2)6(8)9-4-3-7;1-4(2,3)5/h7H,1,3-4H2,2H3;5H,1-3H3
InChIKeyUGPHSMBVDOEJFJ-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.88
Rot. Bonds3

About 2-hydroxyethyl 2-methylprop-2-enoate;2-methylpropan-2-ol

2-hydroxyethyl 2-methylprop-2-enoate;2-methylpropan-2-ol (PubChem CID 161086625) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-hydroxyethyl 2-methylprop-2-enoate;2-methylpropan-2-ol.

Molecular Properties

Compound Name2-hydroxyethyl 2-methylprop-2-enoate;2-methylpropan-2-ol
PubChem CID161086625
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name2-hydroxyethyl 2-methylprop-2-enoate;2-methylpropan-2-ol
SMILESC=C(C)C(=O)OCCO.CC(C)(C)O
InChIInChI=1S/C6H10O3.C4H10O/c1-5(2)6(8)9-4-3-7;1-4(2,3)5/h7H,1,3-4H2,2H3;5H,1-3H3
InChIKeyUGPHSMBVDOEJFJ-UHFFFAOYSA-N
XLogP0.88
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.88
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

2-hydroxyethyl 2-methylprop-2-enoate;phosphorous acid
CID 162067648
2-hydroxyethyl 2-methylprop-2-enoate;nonakis(methyl 2-methylprop-2-enoate)
CID 173405157
2-hydroxyethyl 2-methylprop-2-enoate;octakis(prop-1-ene)
CID 173395322
2-hydroxyethyl 2-methylprop-2-enoate sulfate
CID 20566074
4-hydroxybutyl 2-methylprop-2-enoate;2-hydroxyethyl 2-methylprop-2-enoate
CID 87803089
2-hydroxyethyl 2-methylprop-2-enoate;propane-1,1-diol
CID 174925229
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 19001742
[3-hydroxy-3-methyl-5-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate
CID 122518361
2,4-dimethylidenepentanediamide;2-hydroxyethyl 2-methylprop-2-enoate
CID 87356884
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-hydroxyethyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid)
CID 173303498
2-buta-1,3-dien-2-yloxyethanol;2-hydroxyethyl 2-methylprop-2-enoate
CID 163613282
ethylphosphonic acid;2-hydroxyethyl 2-methylprop-2-enoate
CID 174621841

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-methylprop-2-enoate;2-methylpropan-2-ol?
The IUPAC name of 2-hydroxyethyl 2-methylprop-2-enoate;2-methylpropan-2-ol (CID 161086625) is 2-hydroxyethyl 2-methylprop-2-enoate;2-methylpropan-2-ol.
What is the SMILES notation for 2-hydroxyethyl 2-methylprop-2-enoate;2-methylpropan-2-ol?
The canonical SMILES for 2-hydroxyethyl 2-methylprop-2-enoate;2-methylpropan-2-ol is C=C(C)C(=O)OCCO.CC(C)(C)O.
What is the InChIKey of 2-hydroxyethyl 2-methylprop-2-enoate;2-methylpropan-2-ol?
The InChIKey is UGPHSMBVDOEJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.C4H10O/c1-5(2)6(8)9-4-3-7;1-4(2,3)5/h7H,1,3-4H2,2H3;5H,1-3H3.
What are the key properties of 2-hydroxyethyl 2-methylprop-2-enoate;2-methylpropan-2-ol?
2-hydroxyethyl 2-methylprop-2-enoate;2-methylpropan-2-ol has a molecular weight of 204.27 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-methylprop-2-enoate;2-methylpropan-2-ol is sourced from PubChem (CID 161086625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).