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

C13H22O6 — CID 174689374

IUPAC1-hydroxypropyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.C=C(C)C(=O)OC(O)CC
InChIInChI=1S/C7H12O3.C6H10O3/c1-4-6(8)10-7(9)5(2)3;1(5-3-8-5)7-2-6-4-9-6/h6,8H,2,4H2,1,3H3;5-6H,1-4H2
InChIKeyNTLWIRMRKMBQLW-UHFFFAOYSA-N
MW274.31 g/mol
LogP0.63
Rot. Bonds7

About 1-hydroxypropyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane

1-hydroxypropyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane (PubChem CID 174689374) has the molecular formula C13H22O6 and a molecular weight of 274.31 g/mol. Its IUPAC name is 1-hydroxypropyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane.

Molecular Properties

Compound Name1-hydroxypropyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane
PubChem CID174689374
Molecular FormulaC13H22O6
Molecular Weight274.31 g/mol
Exact Mass274.14
IUPAC Name1-hydroxypropyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane
SMILESC(OCC1CO1)C1CO1.C=C(C)C(=O)OC(O)CC
InChIInChI=1S/C7H12O3.C6H10O3/c1-4-6(8)10-7(9)5(2)3;1(5-3-8-5)7-2-6-4-9-6/h6,8H,2,4H2,1,3H3;5-6H,1-4H2
InChIKeyNTLWIRMRKMBQLW-UHFFFAOYSA-N
XLogP0.63
TPSA80.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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

2-methylprop-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87296159
[2-hydroxy-3-(oxiran-2-ylmethoxy)propyl] 2-methylprop-2-enoate
CID 140652815
[(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
3-hydroxypropyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174621798
ethyl acetate;methane;oxiran-2-ylmethyl 2-methylprop-2-enoate
CID 174820350
oxiran-2-ylmethyl 2-methylprop-2-enoate;oxosilane
CID 174970981
oxiran-2-ylmethyl 2-methylprop-2-eneperoxoate
CID 18326856
4-(oxiran-2-ylmethoxy)butyl 2-methylprop-2-enoate;3-(oxiran-2-ylmethoxy)propyl 2-methylprop-2-enoate
CID 158042491
tetrakis((2S,3R)-butane-1,2,3,4-tetrol);[(2S,3R)-1,4-dihydroxy-3-(oxiran-2-ylmethoxy)butan-2-yl] 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid)
CID 172709586
ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87071861

Frequently Asked Questions

What is the IUPAC name of 1-hydroxypropyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane?
The IUPAC name of 1-hydroxypropyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane (CID 174689374) is 1-hydroxypropyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane.
What is the SMILES notation for 1-hydroxypropyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane?
The canonical SMILES for 1-hydroxypropyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane is C(OCC1CO1)C1CO1.C=C(C)C(=O)OC(O)CC.
What is the InChIKey of 1-hydroxypropyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane?
The InChIKey is NTLWIRMRKMBQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3.C6H10O3/c1-4-6(8)10-7(9)5(2)3;1(5-3-8-5)7-2-6-4-9-6/h6,8H,2,4H2,1,3H3;5-6H,1-4H2.
What are the key properties of 1-hydroxypropyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane?
1-hydroxypropyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane has a molecular weight of 274.31 g/mol, XLogP of 0.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxypropyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane is sourced from PubChem (CID 174689374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).