3-(oxiran-2-ylmethoxymethyl)-2-[3-(oxiran-2-ylmethoxymethyl)-2-(oxiran-2-ylmethyl)oxiran-2-yl]oxy-2-(oxiran-2-ylmethyl)oxirane

C18H26O9 — CID 174878510

IUPAC3-(oxiran-2-ylmethoxymethyl)-2-[3-(oxiran-2-ylmethoxymethyl)-2-(oxiran-2-ylmethyl)oxiran-2-yl]oxy-2-(oxiran-2-ylmethyl)oxirane
SMILESC(OCC1OC1(CC1CO1)OC1(CC2CO2)OC1COCC1CO1)C1CO1
InChIInChI=1S/C18H26O9/c1(11-5-21-11)17(15(25-17)9-19-3-13-7-23-13)27-18(2-12-6-22-12)16(26-18)10-20-4-14-8-24-14/h11-16H,1-10H2
InChIKeyLCOVYBYDUIUAOQ-UHFFFAOYSA-N
MW386.40 g/mol
LogP-0.40
Rot. Bonds14

About 3-(oxiran-2-ylmethoxymethyl)-2-[3-(oxiran-2-ylmethoxymethyl)-2-(oxiran-2-ylmethyl)oxiran-2-yl]oxy-2-(oxiran-2-ylmethyl)oxirane

3-(oxiran-2-ylmethoxymethyl)-2-[3-(oxiran-2-ylmethoxymethyl)-2-(oxiran-2-ylmethyl)oxiran-2-yl]oxy-2-(oxiran-2-ylmethyl)oxirane (PubChem CID 174878510) has the molecular formula C18H26O9 and a molecular weight of 386.40 g/mol. Its IUPAC name is 3-(oxiran-2-ylmethoxymethyl)-2-[3-(oxiran-2-ylmethoxymethyl)-2-(oxiran-2-ylmethyl)oxiran-2-yl]oxy-2-(oxiran-2-ylmethyl)oxirane.

Molecular Properties

Compound Name3-(oxiran-2-ylmethoxymethyl)-2-[3-(oxiran-2-ylmethoxymethyl)-2-(oxiran-2-ylmethyl)oxiran-2-yl]oxy-2-(oxiran-2-ylmethyl)oxirane
PubChem CID174878510
Molecular FormulaC18H26O9
Molecular Weight386.40 g/mol
Exact Mass386.16
IUPAC Name3-(oxiran-2-ylmethoxymethyl)-2-[3-(oxiran-2-ylmethoxymethyl)-2-(oxiran-2-ylmethyl)oxiran-2-yl]oxy-2-(oxiran-2-ylmethyl)oxirane
SMILESC(OCC1OC1(CC1CO1)OC1(CC2CO2)OC1COCC1CO1)C1CO1
InChIInChI=1S/C18H26O9/c1(11-5-21-11)17(15(25-17)9-19-3-13-7-23-13)27-18(2-12-6-22-12)16(26-18)10-20-4-14-8-24-14/h11-16H,1-10H2
InChIKeyLCOVYBYDUIUAOQ-UHFFFAOYSA-N
XLogP-0.40
TPSA102.87 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 3-(oxiran-2-ylmethoxymethyl)-2-[3-(oxiran-2-ylmethoxymethyl)-2-(oxiran-2-ylmethyl)oxiran-2-yl]oxy-2-(oxiran-2-ylmethyl)oxirane with MolForge

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Related Compounds

methane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 167637417
2-(oxiran-2-ylmethoxymethyl)oxirane;oxophosphane
CID 22290133
2-(oxiran-2-ylmethoxymethyl)oxirane diazide
CID 175700488
2-(oxiran-2-ylmethoxymethyl)oxirane;sulfur trioxide
CID 87769776
ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87071861
(2R)-2-[[4-(oxiran-2-ylmethoxymethyl)cyclohexyl]methoxymethyl]oxirane
CID 88922210
2-(oxiran-2-ylmethoxymethyl)oxirane;thiirene
CID 88761424
2-(oxiran-2-ylmethoxymethyl)oxirane;1,3,5-triazinane-2,4,6-trione
CID 174688773
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]oxirane
CID 58765936
2-methylprop-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87296159
cyclopentane;ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 88518341
ethane-1,2-diol;ethene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 173313374

Frequently Asked Questions

What is the IUPAC name of 3-(oxiran-2-ylmethoxymethyl)-2-[3-(oxiran-2-ylmethoxymethyl)-2-(oxiran-2-ylmethyl)oxiran-2-yl]oxy-2-(oxiran-2-ylmethyl)oxirane?
The IUPAC name of 3-(oxiran-2-ylmethoxymethyl)-2-[3-(oxiran-2-ylmethoxymethyl)-2-(oxiran-2-ylmethyl)oxiran-2-yl]oxy-2-(oxiran-2-ylmethyl)oxirane (CID 174878510) is 3-(oxiran-2-ylmethoxymethyl)-2-[3-(oxiran-2-ylmethoxymethyl)-2-(oxiran-2-ylmethyl)oxiran-2-yl]oxy-2-(oxiran-2-ylmethyl)oxirane.
What is the SMILES notation for 3-(oxiran-2-ylmethoxymethyl)-2-[3-(oxiran-2-ylmethoxymethyl)-2-(oxiran-2-ylmethyl)oxiran-2-yl]oxy-2-(oxiran-2-ylmethyl)oxirane?
The canonical SMILES for 3-(oxiran-2-ylmethoxymethyl)-2-[3-(oxiran-2-ylmethoxymethyl)-2-(oxiran-2-ylmethyl)oxiran-2-yl]oxy-2-(oxiran-2-ylmethyl)oxirane is C(OCC1OC1(CC1CO1)OC1(CC2CO2)OC1COCC1CO1)C1CO1.
What is the InChIKey of 3-(oxiran-2-ylmethoxymethyl)-2-[3-(oxiran-2-ylmethoxymethyl)-2-(oxiran-2-ylmethyl)oxiran-2-yl]oxy-2-(oxiran-2-ylmethyl)oxirane?
The InChIKey is LCOVYBYDUIUAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O9/c1(11-5-21-11)17(15(25-17)9-19-3-13-7-23-13)27-18(2-12-6-22-12)16(26-18)10-20-4-14-8-24-14/h11-16H,1-10H2.
What are the key properties of 3-(oxiran-2-ylmethoxymethyl)-2-[3-(oxiran-2-ylmethoxymethyl)-2-(oxiran-2-ylmethyl)oxiran-2-yl]oxy-2-(oxiran-2-ylmethyl)oxirane?
3-(oxiran-2-ylmethoxymethyl)-2-[3-(oxiran-2-ylmethoxymethyl)-2-(oxiran-2-ylmethyl)oxiran-2-yl]oxy-2-(oxiran-2-ylmethyl)oxirane has a molecular weight of 386.40 g/mol, XLogP of -0.40, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxiran-2-ylmethoxymethyl)-2-[3-(oxiran-2-ylmethoxymethyl)-2-(oxiran-2-ylmethyl)oxiran-2-yl]oxy-2-(oxiran-2-ylmethyl)oxirane is sourced from PubChem (CID 174878510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).