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

C59H104O28 — CID 163797602

IUPAC2-[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
SMILESC(COCC1CO1)OCOCC1CO1.C(OCC1CO1)OCC1CO1.C(OCOCC1CO1)OCC1CO1.CC(C)(COCC1CO1)COCC1CO1.CC(COCC1CO1)COC1CO1.CCC(COCC1CO1)(COCC1CO1)COCC1CO1
InChIInChI=1S/C15H26O6.C11H20O4.C9H16O5.C9H16O4.C8H14O5.C7H12O4/c1-2-15(9-16-3-12-6-19-12,10-17-4-13-7-20-13)11-18-5-14-8-21-14;1-11(2,7-12-3-9-5-14-9)8-13-4-10-6-15-10;1(10-3-8-5-13-8)2-11-7-12-4-9-6-14-9;1-7(3-12-9-6-13-9)2-10-4-8-5-11-8;1(7-3-12-7)9-5-11-6-10-2-8-4-13-8;1(6-3-10-6)8-5-9-2-7-4-11-7/h12-14H,2-11H2,1H3;9-10H,3-8H2,1-2H3;8-9H,1-7H2;7-9H,2-6H2,1H3;7-8H,1-6H2;6-7H,1-5H2
InChIKeyNCELSOAXUIGHEK-UHFFFAOYSA-N
MW1261.45 g/mol
LogP1.20
Rot. Bonds51

About 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

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 (PubChem CID 163797602) has the molecular formula C59H104O28 and a molecular weight of 1261.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID163797602
Molecular FormulaC59H104O28
Molecular Weight1261.45 g/mol
Exact Mass1260.67
IUPAC Name2-[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
SMILESC(COCC1CO1)OCOCC1CO1.C(OCC1CO1)OCC1CO1.C(OCOCC1CO1)OCC1CO1.CC(C)(COCC1CO1)COCC1CO1.CC(COCC1CO1)COC1CO1.CCC(COCC1CO1)(COCC1CO1)COCC1CO1
InChIInChI=1S/C15H26O6.C11H20O4.C9H16O5.C9H16O4.C8H14O5.C7H12O4/c1-2-15(9-16-3-12-6-19-12,10-17-4-13-7-20-13)11-18-5-14-8-21-14;1-11(2,7-12-3-9-5-14-9)8-13-4-10-6-15-10;1(10-3-8-5-13-8)2-11-7-12-4-9-6-14-9;1-7(3-12-9-6-13-9)2-10-4-8-5-11-8;1(7-3-12-7)9-5-11-6-10-2-8-4-13-8;1(6-3-10-6)8-5-9-2-7-4-11-7/h12-14H,2-11H2,1H3;9-10H,3-8H2,1-2H3;8-9H,1-7H2;7-9H,2-6H2,1H3;7-8H,1-6H2;6-7H,1-5H2
InChIKeyNCELSOAXUIGHEK-UHFFFAOYSA-N
XLogP1.20
TPSA301.34 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds51
Heavy Atoms87
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001261.45
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

2-[2,2-bis(oxiran-2-yloxymethyl)butoxymethyl]oxirane
CID 161499535
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
2-[3-(2-methylbutoxy)propoxymethyl]oxirane
CID 167130751
3-[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]propan-1-ol
CID 118319216
(2R)-2-(2-methylpropoxy)oxirane
CID 89027420
(2S)-2-(2-methylpropoxy)oxirane
CID 89027461
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-methylprop-2-enoic acid
CID 22131922
2-[[2,6,10-trimethyl-11-(oxiran-2-ylmethoxy)undecoxy]methyl]oxirane
CID 142609718
2,2-bis(oxiran-2-ylmethoxymethyl)butyl 3-aminopropanoate
CID 88951078
cyclohexane;1-[2,2-dimethyl-3-(oxiran-2-ylmethoxy)propoxy]-3-ethoxypropan-2-ol;2-(ethoxymethyl)oxirane
CID 158042815

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C(COCC1CO1)OCOCC1CO1.C(OCC1CO1)OCC1CO1.C(OCOCC1CO1)OCC1CO1.CC(C)(COCC1CO1)COCC1CO1.CC(COCC1CO1)COC1CO1.CCC(COCC1CO1)(COCC1CO1)COCC1CO1.
What is the InChIKey of 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?
The InChIKey is NCELSOAXUIGHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O6.C11H20O4.C9H16O5.C9H16O4.C8H14O5.C7H12O4/c1-2-15(9-16-3-12-6-19-12,10-17-4-13-7-20-13)11-18-5-14-8-21-14;1-11(2,7-12-3-9-5-14-9)8-13-4-10-6-15-10;1(10-3-8-5-13-8)2-11-7-12-4-9-6-14-9;1-7(3-12-9-6-13-9)2-10-4-8-5-11-8;1(7-3-12-7)9-5-11-6-10-2-8-4-13-8;1(6-3-10-6)8-5-9-2-7-4-11-7/h12-14H,2-11H2,1H3;9-10H,3-8H2,1-2H3;8-9H,1-7H2;7-9H,2-6H2,1H3;7-8H,1-6H2;6-7H,1-5H2.
What are the key properties of 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?
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 has a molecular weight of 1261.45 g/mol, XLogP of 1.20, 51 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163797602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).