2-[2,2-bis(oxiran-2-yloxymethyl)butoxymethyl]oxirane

C13H22O6 — CID 161499535

IUPAC2-[2,2-bis(oxiran-2-yloxymethyl)butoxymethyl]oxirane
SMILESCCC(COCC1CO1)(COC1CO1)COC1CO1
InChIInChI=1S/C13H22O6/c1-2-13(8-18-11-5-16-11,9-19-12-6-17-12)7-14-3-10-4-15-10/h10-12H,2-9H2,1H3
InChIKeyPIEUTPKUGMCMSV-UHFFFAOYSA-N
MW274.31 g/mol
LogP0.54
Rot. Bonds11

About 2-[2,2-bis(oxiran-2-yloxymethyl)butoxymethyl]oxirane

2-[2,2-bis(oxiran-2-yloxymethyl)butoxymethyl]oxirane (PubChem CID 161499535) has the molecular formula C13H22O6 and a molecular weight of 274.31 g/mol. Its IUPAC name is 2-[2,2-bis(oxiran-2-yloxymethyl)butoxymethyl]oxirane.

Molecular Properties

Compound Name2-[2,2-bis(oxiran-2-yloxymethyl)butoxymethyl]oxirane
PubChem CID161499535
Molecular FormulaC13H22O6
Molecular Weight274.31 g/mol
Exact Mass274.14
IUPAC Name2-[2,2-bis(oxiran-2-yloxymethyl)butoxymethyl]oxirane
SMILESCCC(COCC1CO1)(COC1CO1)COC1CO1
InChIInChI=1S/C13H22O6/c1-2-13(8-18-11-5-16-11,9-19-12-6-17-12)7-14-3-10-4-15-10/h10-12H,2-9H2,1H3
InChIKeyPIEUTPKUGMCMSV-UHFFFAOYSA-N
XLogP0.54
TPSA65.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2,2-bis(oxiran-2-ylmethoxymethyl)butoxymethyl]oxirane;2-methylprop-2-enoic acid
CID 22131922
2-[2,2-bis(oxiran-2-ylmethoxymethyl)butoxymethyl]oxirane;prop-2-enoic acid
CID 87433699
2-[2,2-bis(oxiran-2-ylmethoxymethyl)butoxymethyl]oxirane;2-[[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]methyl]oxirane;2-[2-methyl-3-(oxiran-2-ylmethoxy)propoxy]oxirane;2-[2-(oxiran-2-ylmethoxy)ethoxymethoxymethyl]oxirane;2-(oxiran-2-ylmethoxymethoxymethoxymethyl)oxirane;2-(oxiran-2-ylmethoxymethoxymethyl)oxirane
CID 163797602
2,2-bis(oxiran-2-ylmethoxymethyl)butyl 3-aminopropanoate
CID 88951078
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 57370814
2-[[2-(2-methoxyethoxymethyl)-2-(2-methylbutoxymethyl)butoxy]methyl]oxirane
CID 146626109
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
1-[2-[(2-hydroxy-3-morpholin-4-ylpropoxy)methyl]-2-(oxiran-2-ylmethoxymethyl)butoxy]-3-morpholin-4-ylpropan-2-ol
CID 58991248
ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87071861
2-(2,2-dimethylpropoxy)oxirane
CID 129074404
2-amino-2-(hydroxymethyl)propane-1,3-diol;2-[[3-[2,2-bis[[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-hydroxypropoxy]methyl]butoxy]-2-hydroxypropyl]amino]-2-(hydroxymethyl)propane-1,3-diol;2-[2,2-bis(oxiran-2-ylmethoxymethyl)butoxymethyl]oxirane
CID 162101956
[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-yloxymethyl)butoxymethyl]oxirane?
The IUPAC name of 2-[2,2-bis(oxiran-2-yloxymethyl)butoxymethyl]oxirane (CID 161499535) is 2-[2,2-bis(oxiran-2-yloxymethyl)butoxymethyl]oxirane.
What is the SMILES notation for 2-[2,2-bis(oxiran-2-yloxymethyl)butoxymethyl]oxirane?
The canonical SMILES for 2-[2,2-bis(oxiran-2-yloxymethyl)butoxymethyl]oxirane is CCC(COCC1CO1)(COC1CO1)COC1CO1.
What is the InChIKey of 2-[2,2-bis(oxiran-2-yloxymethyl)butoxymethyl]oxirane?
The InChIKey is PIEUTPKUGMCMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O6/c1-2-13(8-18-11-5-16-11,9-19-12-6-17-12)7-14-3-10-4-15-10/h10-12H,2-9H2,1H3.
What are the key properties of 2-[2,2-bis(oxiran-2-yloxymethyl)butoxymethyl]oxirane?
2-[2,2-bis(oxiran-2-yloxymethyl)butoxymethyl]oxirane has a molecular weight of 274.31 g/mol, XLogP of 0.54, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-bis(oxiran-2-yloxymethyl)butoxymethyl]oxirane is sourced from PubChem (CID 161499535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).