3-hydroxypropyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane

C13H22O6 — CID 174621798

IUPAC3-hydroxypropyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.C=C(C)C(=O)OCCCO
InChIInChI=1S/C7H12O3.C6H10O3/c1-6(2)7(9)10-5-3-4-8;1(5-3-8-5)7-2-6-4-9-6/h8H,1,3-5H2,2H3;5-6H,1-4H2
InChIKeyWGRHCBOZRWNADM-UHFFFAOYSA-N
MW274.31 g/mol
LogP0.29
Rot. Bonds8

About 3-hydroxypropyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane

3-hydroxypropyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane (PubChem CID 174621798) has the molecular formula C13H22O6 and a molecular weight of 274.31 g/mol. Its IUPAC name is 3-hydroxypropyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane.

Molecular Properties

Compound Name3-hydroxypropyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane
PubChem CID174621798
Molecular FormulaC13H22O6
Molecular Weight274.31 g/mol
Exact Mass274.14
IUPAC Name3-hydroxypropyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.C=C(C)C(=O)OCCCO
InChIInChI=1S/C7H12O3.C6H10O3/c1-6(2)7(9)10-5-3-4-8;1(5-3-8-5)7-2-6-4-9-6/h8H,1,3-5H2,2H3;5-6H,1-4H2
InChIKeyWGRHCBOZRWNADM-UHFFFAOYSA-N
XLogP0.29
TPSA80.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(oxiran-2-ylmethoxy)butyl 2-methylprop-2-enoate;3-(oxiran-2-ylmethoxy)propyl 2-methylprop-2-enoate
CID 158042491
4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87727049
1-O-(3-hydroxypropyl) 2-O-(oxiran-2-ylmethyl) oxalate
CID 129215406
[(2R)-oxiran-2-yl]methyl 2-methylprop-2-enoate
CID 904806
2-hydroxyethyl 2-methylprop-2-enoate;oxiran-2-ylmethanol
CID 131732609
2-hydroxyethyl 2-methylprop-2-enoate;methyl 2-methylprop-2-enoate;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 86750009
methane;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 87151920
formaldehyde;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 159353031
2-methylprop-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87296159
oxiran-2-ylmethyl 2-methylprop-2-enoate;oxosilane
CID 174970981
[2,2-bis(hydroxymethyl)-3-(oxiran-2-ylmethoxy)propyl] 2-methylprop-2-enoate
CID 89388463
butyl 2-methylprop-2-enoate;oxiran-2-ylmethyl prop-2-enoate
CID 88777427

Frequently Asked Questions

What is the IUPAC name of 3-hydroxypropyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane?
The IUPAC name of 3-hydroxypropyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane (CID 174621798) is 3-hydroxypropyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane.
What is the SMILES notation for 3-hydroxypropyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane?
The canonical SMILES for 3-hydroxypropyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane is C(OCC1CO1)C1CO1.C=C(C)C(=O)OCCCO.
What is the InChIKey of 3-hydroxypropyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane?
The InChIKey is WGRHCBOZRWNADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3.C6H10O3/c1-6(2)7(9)10-5-3-4-8;1(5-3-8-5)7-2-6-4-9-6/h8H,1,3-5H2,2H3;5-6H,1-4H2.
What are the key properties of 3-hydroxypropyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane?
3-hydroxypropyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane has a molecular weight of 274.31 g/mol, XLogP of 0.29, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypropyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane is sourced from PubChem (CID 174621798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).