2-[2,2-bis(oxiran-2-ylmethoxymethyl)butoxymethyl]oxirane;2-methylprop-2-enoic acid

C19H32O8 — CID 22131922

IUPAC2-[2,2-bis(oxiran-2-ylmethoxymethyl)butoxymethyl]oxirane;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CCC(COCC1CO1)(COCC1CO1)COCC1CO1
InChIInChI=1S/C15H26O6.C4H6O2/c1-2-15(9-16-3-12-6-19-12,10-17-4-13-7-20-13)11-18-5-14-8-21-14;1-3(2)4(5)6/h12-14H,2-11H2,1H3;1H2,2H3,(H,5,6)
InChIKeyARVIPDUNJJNVJE-UHFFFAOYSA-N
MW388.46 g/mol
LogP1.28
Rot. Bonds14

About 2-[2,2-bis(oxiran-2-ylmethoxymethyl)butoxymethyl]oxirane;2-methylprop-2-enoic acid

2-[2,2-bis(oxiran-2-ylmethoxymethyl)butoxymethyl]oxirane;2-methylprop-2-enoic acid (PubChem CID 22131922) has the molecular formula C19H32O8 and a molecular weight of 388.46 g/mol. Its IUPAC name is 2-[2,2-bis(oxiran-2-ylmethoxymethyl)butoxymethyl]oxirane;2-methylprop-2-enoic acid.

Molecular Properties

Compound Name2-[2,2-bis(oxiran-2-ylmethoxymethyl)butoxymethyl]oxirane;2-methylprop-2-enoic acid
PubChem CID22131922
Molecular FormulaC19H32O8
Molecular Weight388.46 g/mol
Exact Mass388.21
IUPAC Name2-[2,2-bis(oxiran-2-ylmethoxymethyl)butoxymethyl]oxirane;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.CCC(COCC1CO1)(COCC1CO1)COCC1CO1
InChIInChI=1S/C15H26O6.C4H6O2/c1-2-15(9-16-3-12-6-19-12,10-17-4-13-7-20-13)11-18-5-14-8-21-14;1-3(2)4(5)6/h12-14H,2-11H2,1H3;1H2,2H3,(H,5,6)
InChIKeyARVIPDUNJJNVJE-UHFFFAOYSA-N
XLogP1.28
TPSA102.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 51.28
H-Bond Donors ≤ 51
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-[2,2-bis(oxiran-2-ylmethoxymethyl)butoxymethyl]oxirane;prop-2-enoic acid
CID 87433699
2-[2,2-bis(oxiran-2-yloxymethyl)butoxymethyl]oxirane
CID 161499535
2,2-bis(oxiran-2-ylmethoxymethyl)butyl 3-aminopropanoate
CID 88951078
[2,2-bis(hydroxymethyl)-3-(oxiran-2-ylmethoxy)propyl] 2-methylprop-2-enoate
CID 89388463
2-methyl-3-(oxiran-2-ylmethoxy)-2-(oxiran-2-ylmethoxymethyl)propanoic acid
CID 142337917
2-methylprop-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87296159
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 57370814
2-methylprop-2-enoic acid;oxiran-2-ylmethyl 2-methylprop-2-enoate;phosphoric acid
CID 175461208
2-[[3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2,2-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]propoxy]methyl]oxirane
CID 88898601
2-[[2-(2-methoxyethoxymethyl)-2-(2-methylbutoxymethyl)butoxy]methyl]oxirane
CID 146626109
[3-(oxiran-2-ylmethoxy)-2,2-bis(oxiran-2-ylmethoxymethyl)propyl] prop-2-enoate
CID 139503569
[2-(2-methoxyethoxymethyl)-2-(oxiran-2-ylmethoxymethyl)butyl] 3-[3,5-bis[3-[2,2-bis(oxiran-2-ylmethoxymethyl)butoxy]-3-oxopropyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propanoate
CID 138712368

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-bis(oxiran-2-ylmethoxymethyl)butoxymethyl]oxirane;2-methylprop-2-enoic acid?
The IUPAC name of 2-[2,2-bis(oxiran-2-ylmethoxymethyl)butoxymethyl]oxirane;2-methylprop-2-enoic acid (CID 22131922) is 2-[2,2-bis(oxiran-2-ylmethoxymethyl)butoxymethyl]oxirane;2-methylprop-2-enoic acid.
What is the SMILES notation for 2-[2,2-bis(oxiran-2-ylmethoxymethyl)butoxymethyl]oxirane;2-methylprop-2-enoic acid?
The canonical SMILES for 2-[2,2-bis(oxiran-2-ylmethoxymethyl)butoxymethyl]oxirane;2-methylprop-2-enoic acid is C=C(C)C(=O)O.CCC(COCC1CO1)(COCC1CO1)COCC1CO1.
What is the InChIKey of 2-[2,2-bis(oxiran-2-ylmethoxymethyl)butoxymethyl]oxirane;2-methylprop-2-enoic acid?
The InChIKey is ARVIPDUNJJNVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O6.C4H6O2/c1-2-15(9-16-3-12-6-19-12,10-17-4-13-7-20-13)11-18-5-14-8-21-14;1-3(2)4(5)6/h12-14H,2-11H2,1H3;1H2,2H3,(H,5,6).
What are the key properties of 2-[2,2-bis(oxiran-2-ylmethoxymethyl)butoxymethyl]oxirane;2-methylprop-2-enoic acid?
2-[2,2-bis(oxiran-2-ylmethoxymethyl)butoxymethyl]oxirane;2-methylprop-2-enoic acid has a molecular weight of 388.46 g/mol, XLogP of 1.28, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-bis(oxiran-2-ylmethoxymethyl)butoxymethyl]oxirane;2-methylprop-2-enoic acid is sourced from PubChem (CID 22131922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).