2-(oxiran-2-ylmethoxymethyl)oxirane;propane-1,2,3-triol;prop-2-enoic acid

C12H22O8 — CID 87308425

IUPAC2-(oxiran-2-ylmethoxymethyl)oxirane;propane-1,2,3-triol;prop-2-enoic acid
SMILESC(OCC1CO1)C1CO1.C=CC(=O)O.OCC(O)CO
InChIInChI=1S/C6H10O3.C3H8O3.C3H4O2/c1(5-3-8-5)7-2-6-4-9-6;4-1-3(6)2-5;1-2-3(4)5/h5-6H,1-4H2;3-6H,1-2H2;2H,1H2,(H,4,5)
InChIKeyQGRUDDUNPZDPET-UHFFFAOYSA-N
MW294.30 g/mol
LogP-1.61
Rot. Bonds7

About 2-(oxiran-2-ylmethoxymethyl)oxirane;propane-1,2,3-triol;prop-2-enoic acid

2-(oxiran-2-ylmethoxymethyl)oxirane;propane-1,2,3-triol;prop-2-enoic acid (PubChem CID 87308425) has the molecular formula C12H22O8 and a molecular weight of 294.30 g/mol. Its IUPAC name is 2-(oxiran-2-ylmethoxymethyl)oxirane;propane-1,2,3-triol;prop-2-enoic acid.

Molecular Properties

Compound Name2-(oxiran-2-ylmethoxymethyl)oxirane;propane-1,2,3-triol;prop-2-enoic acid
PubChem CID87308425
Molecular FormulaC12H22O8
Molecular Weight294.30 g/mol
Exact Mass294.13
IUPAC Name2-(oxiran-2-ylmethoxymethyl)oxirane;propane-1,2,3-triol;prop-2-enoic acid
SMILESC(OCC1CO1)C1CO1.C=CC(=O)O.OCC(O)CO
InChIInChI=1S/C6H10O3.C3H8O3.C3H4O2/c1(5-3-8-5)7-2-6-4-9-6;4-1-3(6)2-5;1-2-3(4)5/h5-6H,1-4H2;3-6H,1-2H2;2H,1H2,(H,4,5)
InChIKeyQGRUDDUNPZDPET-UHFFFAOYSA-N
XLogP-1.61
TPSA132.28 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 5-1.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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-(oxiran-2-ylmethoxymethyl)oxirane;bis(propane-1,2,3-triol)
CID 23284067
2-(oxiran-2-ylmethoxy)ethanol;prop-2-enoic acid
CID 158133207
2-[1-(oxiran-2-ylmethoxy)propan-2-yloxymethyl]oxirane;prop-2-enoic acid
CID 87064307
2-[2,2-bis(oxiran-2-ylmethoxymethyl)butoxymethyl]oxirane;prop-2-enoic acid
CID 87433699
[1-hydroxy-3-(oxiran-2-ylmethoxy)propan-2-yl] prop-2-enoate
CID 88624989
ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane;tetrakis(prop-1-ene)
CID 173030236
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;2-(oxiran-2-ylmethoxymethyl)oxirane;prop-2-enoic acid
CID 175055278
ethane-1,2-diol;ethene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 173313374
tert-butyl prop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174535709
nonane-1,9-diol;bis(propane-1,2,3-triol);bis(prop-2-enoic acid)
CID 161436278
[2-hydroxy-3-[4-(oxiran-2-ylmethoxy)butoxy]propyl] prop-2-enoate
CID 22604997
but-3-enoic acid;2-(prop-2-enoxymethyl)oxirane
CID 174888667

Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-ylmethoxymethyl)oxirane;propane-1,2,3-triol;prop-2-enoic acid?
The IUPAC name of 2-(oxiran-2-ylmethoxymethyl)oxirane;propane-1,2,3-triol;prop-2-enoic acid (CID 87308425) is 2-(oxiran-2-ylmethoxymethyl)oxirane;propane-1,2,3-triol;prop-2-enoic acid.
What is the SMILES notation for 2-(oxiran-2-ylmethoxymethyl)oxirane;propane-1,2,3-triol;prop-2-enoic acid?
The canonical SMILES for 2-(oxiran-2-ylmethoxymethyl)oxirane;propane-1,2,3-triol;prop-2-enoic acid is C(OCC1CO1)C1CO1.C=CC(=O)O.OCC(O)CO.
What is the InChIKey of 2-(oxiran-2-ylmethoxymethyl)oxirane;propane-1,2,3-triol;prop-2-enoic acid?
The InChIKey is QGRUDDUNPZDPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.C3H8O3.C3H4O2/c1(5-3-8-5)7-2-6-4-9-6;4-1-3(6)2-5;1-2-3(4)5/h5-6H,1-4H2;3-6H,1-2H2;2H,1H2,(H,4,5).
What are the key properties of 2-(oxiran-2-ylmethoxymethyl)oxirane;propane-1,2,3-triol;prop-2-enoic acid?
2-(oxiran-2-ylmethoxymethyl)oxirane;propane-1,2,3-triol;prop-2-enoic acid has a molecular weight of 294.30 g/mol, XLogP of -1.61, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-ylmethoxymethyl)oxirane;propane-1,2,3-triol;prop-2-enoic acid is sourced from PubChem (CID 87308425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).