2-hydroxyethyl 2-methylprop-2-enoate;oxiran-2-ylmethanol

C9H16O5 — CID 131732609

IUPAC2-hydroxyethyl 2-methylprop-2-enoate;oxiran-2-ylmethanol
SMILESC=C(C)C(=O)OCCO.OCC1CO1
InChIInChI=1S/C6H10O3.C3H6O2/c1-5(2)6(8)9-4-3-7;4-1-3-2-5-3/h7H,1,3-4H2,2H3;3-4H,1-2H2
InChIKeyOUKBFYXABNYYDR-UHFFFAOYSA-N
MW204.22 g/mol
LogP-0.52
Rot. Bonds4

About 2-hydroxyethyl 2-methylprop-2-enoate;oxiran-2-ylmethanol

2-hydroxyethyl 2-methylprop-2-enoate;oxiran-2-ylmethanol (PubChem CID 131732609) has the molecular formula C9H16O5 and a molecular weight of 204.22 g/mol. Its IUPAC name is 2-hydroxyethyl 2-methylprop-2-enoate;oxiran-2-ylmethanol.

Molecular Properties

Compound Name2-hydroxyethyl 2-methylprop-2-enoate;oxiran-2-ylmethanol
PubChem CID131732609
Molecular FormulaC9H16O5
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Name2-hydroxyethyl 2-methylprop-2-enoate;oxiran-2-ylmethanol
SMILESC=C(C)C(=O)OCCO.OCC1CO1
InChIInChI=1S/C6H10O3.C3H6O2/c1-5(2)6(8)9-4-3-7;4-1-3-2-5-3/h7H,1,3-4H2,2H3;3-4H,1-2H2
InChIKeyOUKBFYXABNYYDR-UHFFFAOYSA-N
XLogP-0.52
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxyethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 86750009
2-hydroxyethyl 2-methylprop-2-enoate;2-methyl-4-(oxiran-2-yl)but-2-enamide
CID 173160147
2-hydroxyethyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate;prop-2-enenitrile
CID 159846349
3-hydroxypropyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174621798
[(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 904806
4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87727049
2-hydroxyethyl 2-methylprop-2-enoate;phosphorous acid
CID 162067648
formaldehyde;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 159353031
methane;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87151920
2-hydroxyethyl 2-methylprop-2-enoate;2-methylpropan-2-ol
CID 161086625
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

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-methylprop-2-enoate;oxiran-2-ylmethanol?
The IUPAC name of 2-hydroxyethyl 2-methylprop-2-enoate;oxiran-2-ylmethanol (CID 131732609) is 2-hydroxyethyl 2-methylprop-2-enoate;oxiran-2-ylmethanol.
What is the SMILES notation for 2-hydroxyethyl 2-methylprop-2-enoate;oxiran-2-ylmethanol?
The canonical SMILES for 2-hydroxyethyl 2-methylprop-2-enoate;oxiran-2-ylmethanol is C=C(C)C(=O)OCCO.OCC1CO1.
What is the InChIKey of 2-hydroxyethyl 2-methylprop-2-enoate;oxiran-2-ylmethanol?
The InChIKey is OUKBFYXABNYYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.C3H6O2/c1-5(2)6(8)9-4-3-7;4-1-3-2-5-3/h7H,1,3-4H2,2H3;3-4H,1-2H2.
What are the key properties of 2-hydroxyethyl 2-methylprop-2-enoate;oxiran-2-ylmethanol?
2-hydroxyethyl 2-methylprop-2-enoate;oxiran-2-ylmethanol has a molecular weight of 204.22 g/mol, XLogP of -0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-methylprop-2-enoate;oxiran-2-ylmethanol is sourced from PubChem (CID 131732609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).