ethanol;ethoxymethoxymethanol;2-ethyloxirane;methane;oxiran-2-ylmethanol

C18H44O10 — CID 158864373

IUPACethanol;ethoxymethoxymethanol;2-ethyloxirane;methane;oxiran-2-ylmethanol
SMILESC.CCC1CO1.CCO.CCOCOCO.CCOCOCO.OCC1CO1
InChIInChI=1S/2C4H10O3.C4H8O.C3H6O2.C2H6O.CH4/c2*1-2-6-4-7-3-5;1-2-4-3-5-4;4-1-3-2-5-3;1-2-3;/h2*5H,2-4H2,1H3;4H,2-3H2,1H3;3-4H,1-2H2;3H,2H2,1H3;1H4
InChIKeyJBAVSXLDRBSXQN-UHFFFAOYSA-N
MW420.54 g/mol
LogP0.70
Rot. Bonds10

About ethanol;ethoxymethoxymethanol;2-ethyloxirane;methane;oxiran-2-ylmethanol

ethanol;ethoxymethoxymethanol;2-ethyloxirane;methane;oxiran-2-ylmethanol (PubChem CID 158864373) has the molecular formula C18H44O10 and a molecular weight of 420.54 g/mol. Its IUPAC name is ethanol;ethoxymethoxymethanol;2-ethyloxirane;methane;oxiran-2-ylmethanol.

Molecular Properties

Compound Nameethanol;ethoxymethoxymethanol;2-ethyloxirane;methane;oxiran-2-ylmethanol
PubChem CID158864373
Molecular FormulaC18H44O10
Molecular Weight420.54 g/mol
Exact Mass420.29
IUPAC Nameethanol;ethoxymethoxymethanol;2-ethyloxirane;methane;oxiran-2-ylmethanol
SMILESC.CCC1CO1.CCO.CCOCOCO.CCOCOCO.OCC1CO1
InChIInChI=1S/2C4H10O3.C4H8O.C3H6O2.C2H6O.CH4/c2*1-2-6-4-7-3-5;1-2-4-3-5-4;4-1-3-2-5-3;1-2-3;/h2*5H,2-4H2,1H3;4H,2-3H2,1H3;3-4H,1-2H2;3H,2H2,1H3;1H4
InChIKeyJBAVSXLDRBSXQN-UHFFFAOYSA-N
XLogP0.70
TPSA142.90 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 50.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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'}

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Related Compounds

oxiran-2-ylmethanol;propane
CID 91466926
tetrakis(2-ethyloxirane);methane
CID 162010408
ethane-1,2-diol;2-ethyloxirane
CID 23290341
ethanol;methane;oxiran-2-ylmethanol;prop-1-ene
CID 160753688
ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87071861
ethoxymethylbenzene;oxiran-2-ylmethanol
CID 174298824
tris(2-ethyloxirane);tris(oxiran-2-ylmethanol);phenol
CID 159100623
oxiran-2-ylmethanol;1-pentoxypentane
CID 174542251
molecular iodine;oxiran-2-ylmethanol
CID 159687317
oxiran-2-ylmethanol;propylsilane
CID 174273260
2-methyl-1-(2-methylpropoxy)propane;oxiran-2-ylmethanol
CID 174542269
1-hexoxyhexane;oxiran-2-ylmethanol
CID 87532682

Frequently Asked Questions

What is the IUPAC name of ethanol;ethoxymethoxymethanol;2-ethyloxirane;methane;oxiran-2-ylmethanol?
The IUPAC name of ethanol;ethoxymethoxymethanol;2-ethyloxirane;methane;oxiran-2-ylmethanol (CID 158864373) is ethanol;ethoxymethoxymethanol;2-ethyloxirane;methane;oxiran-2-ylmethanol.
What is the SMILES notation for ethanol;ethoxymethoxymethanol;2-ethyloxirane;methane;oxiran-2-ylmethanol?
The canonical SMILES for ethanol;ethoxymethoxymethanol;2-ethyloxirane;methane;oxiran-2-ylmethanol is C.CCC1CO1.CCO.CCOCOCO.CCOCOCO.OCC1CO1.
What is the InChIKey of ethanol;ethoxymethoxymethanol;2-ethyloxirane;methane;oxiran-2-ylmethanol?
The InChIKey is JBAVSXLDRBSXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H10O3.C4H8O.C3H6O2.C2H6O.CH4/c2*1-2-6-4-7-3-5;1-2-4-3-5-4;4-1-3-2-5-3;1-2-3;/h2*5H,2-4H2,1H3;4H,2-3H2,1H3;3-4H,1-2H2;3H,2H2,1H3;1H4.
What are the key properties of ethanol;ethoxymethoxymethanol;2-ethyloxirane;methane;oxiran-2-ylmethanol?
ethanol;ethoxymethoxymethanol;2-ethyloxirane;methane;oxiran-2-ylmethanol has a molecular weight of 420.54 g/mol, XLogP of 0.70, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;ethoxymethoxymethanol;2-ethyloxirane;methane;oxiran-2-ylmethanol is sourced from PubChem (CID 158864373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).