[2-hydroxy-3-(oxiran-2-ylmethoxy)propyl] 2-methylprop-2-enoate

C10H16O5 — CID 140652815

IUPAC[2-hydroxy-3-(oxiran-2-ylmethoxy)propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)COCC1CO1
InChIInChI=1S/C10H16O5/c1-7(2)10(12)15-4-8(11)3-13-5-9-6-14-9/h8-9,11H,1,3-6H2,2H3
InChIKeyYUKCSELBGXRZOQ-UHFFFAOYSA-N
MW216.23 g/mol
LogP-0.12
Rot. Bonds7

About [2-hydroxy-3-(oxiran-2-ylmethoxy)propyl] 2-methylprop-2-enoate

[2-hydroxy-3-(oxiran-2-ylmethoxy)propyl] 2-methylprop-2-enoate (PubChem CID 140652815) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is [2-hydroxy-3-(oxiran-2-ylmethoxy)propyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-hydroxy-3-(oxiran-2-ylmethoxy)propyl] 2-methylprop-2-enoate
PubChem CID140652815
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name[2-hydroxy-3-(oxiran-2-ylmethoxy)propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(O)COCC1CO1
InChIInChI=1S/C10H16O5/c1-7(2)10(12)15-4-8(11)3-13-5-9-6-14-9/h8-9,11H,1,3-6H2,2H3
InChIKeyYUKCSELBGXRZOQ-UHFFFAOYSA-N
XLogP-0.12
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
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

[(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 904806
methane;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87151920
formaldehyde;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 159353031
oxiran-2-ylmethyl 2-methylprop-2-enoate;oxosilane
CID 174970981
[2-hydroxy-3-[2-[2-[2-[2-hydroxy-3-(2-methylprop-2-enoyloxy)propoxy]ethoxy]ethoxy]ethoxy]propyl] 2-methylprop-2-enoate
CID 12800792
4-(oxiran-2-ylmethoxy)butyl 2-methylprop-2-enoate;3-(oxiran-2-ylmethoxy)propyl 2-methylprop-2-enoate
CID 158042491
2,3-dihydroxypropyl 2-methylprop-2-enoate;2-methyl-4-(oxiran-2-yl)but-2-enoic acid
CID 175776964
1-hydroxypropyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174689374
3-hydroxypropyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174621798
2-methylprop-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87296159
ethyl acetate;methane;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 174820350
(2-hydroxy-3-methoxypropyl) 2-methylprop-2-enoate
CID 15315335

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-(oxiran-2-ylmethoxy)propyl] 2-methylprop-2-enoate?
The IUPAC name of [2-hydroxy-3-(oxiran-2-ylmethoxy)propyl] 2-methylprop-2-enoate (CID 140652815) is [2-hydroxy-3-(oxiran-2-ylmethoxy)propyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-hydroxy-3-(oxiran-2-ylmethoxy)propyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-hydroxy-3-(oxiran-2-ylmethoxy)propyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(O)COCC1CO1.
What is the InChIKey of [2-hydroxy-3-(oxiran-2-ylmethoxy)propyl] 2-methylprop-2-enoate?
The InChIKey is YUKCSELBGXRZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c1-7(2)10(12)15-4-8(11)3-13-5-9-6-14-9/h8-9,11H,1,3-6H2,2H3.
What are the key properties of [2-hydroxy-3-(oxiran-2-ylmethoxy)propyl] 2-methylprop-2-enoate?
[2-hydroxy-3-(oxiran-2-ylmethoxy)propyl] 2-methylprop-2-enoate has a molecular weight of 216.23 g/mol, XLogP of -0.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-(oxiran-2-ylmethoxy)propyl] 2-methylprop-2-enoate is sourced from PubChem (CID 140652815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).