2-hydroxyethyl 2-methylprop-2-enoate;propane-1,1-diol

C9H18O5 — CID 174925229

IUPAC2-hydroxyethyl 2-methylprop-2-enoate;propane-1,1-diol
SMILESC=C(C)C(=O)OCCO.CCC(O)O
InChIInChI=1S/C6H10O3.C3H8O2/c1-5(2)6(8)9-4-3-7;1-2-3(4)5/h7H,1,3-4H2,2H3;3-5H,2H2,1H3
InChIKeyXUIIIDFJYFZMIQ-UHFFFAOYSA-N
MW206.24 g/mol
LogP-0.19
Rot. Bonds4

About 2-hydroxyethyl 2-methylprop-2-enoate;propane-1,1-diol

2-hydroxyethyl 2-methylprop-2-enoate;propane-1,1-diol (PubChem CID 174925229) has the molecular formula C9H18O5 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-hydroxyethyl 2-methylprop-2-enoate;propane-1,1-diol.

Molecular Properties

Compound Name2-hydroxyethyl 2-methylprop-2-enoate;propane-1,1-diol
PubChem CID174925229
Molecular FormulaC9H18O5
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name2-hydroxyethyl 2-methylprop-2-enoate;propane-1,1-diol
SMILESC=C(C)C(=O)OCCO.CCC(O)O
InChIInChI=1S/C6H10O3.C3H8O2/c1-5(2)6(8)9-4-3-7;1-2-3(4)5/h7H,1,3-4H2,2H3;3-5H,2H2,1H3
InChIKeyXUIIIDFJYFZMIQ-UHFFFAOYSA-N
XLogP-0.19
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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;2-methylpropan-2-ol
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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
ethylphosphonic acid;2-hydroxyethyl 2-methylprop-2-enoate
CID 174621841
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CID 87085707
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;octyl 2-methylprop-2-enoate
CID 22757411
2-hydroxyethyl 2-methylprop-2-enoate;hydroxymethyl 2-methylprop-2-enoate;2-hydroxypropyl 2-methylprop-2-enoate;methane
CID 158577416
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 19001742
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CID 87356884

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-methylprop-2-enoate;propane-1,1-diol?
The IUPAC name of 2-hydroxyethyl 2-methylprop-2-enoate;propane-1,1-diol (CID 174925229) is 2-hydroxyethyl 2-methylprop-2-enoate;propane-1,1-diol.
What is the SMILES notation for 2-hydroxyethyl 2-methylprop-2-enoate;propane-1,1-diol?
The canonical SMILES for 2-hydroxyethyl 2-methylprop-2-enoate;propane-1,1-diol is C=C(C)C(=O)OCCO.CCC(O)O.
What is the InChIKey of 2-hydroxyethyl 2-methylprop-2-enoate;propane-1,1-diol?
The InChIKey is XUIIIDFJYFZMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.C3H8O2/c1-5(2)6(8)9-4-3-7;1-2-3(4)5/h7H,1,3-4H2,2H3;3-5H,2H2,1H3.
What are the key properties of 2-hydroxyethyl 2-methylprop-2-enoate;propane-1,1-diol?
2-hydroxyethyl 2-methylprop-2-enoate;propane-1,1-diol has a molecular weight of 206.24 g/mol, XLogP of -0.19, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-methylprop-2-enoate;propane-1,1-diol is sourced from PubChem (CID 174925229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).