14-(1-methoxyethyl)-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene

C15H22O5 — CID 101134725

IUPAC14-(1-methoxyethyl)-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene
SMILESCOC(C)c1ccc2c(c1)OCCOCCOCCO2
InChIInChI=1S/C15H22O5/c1-12(16-2)13-3-4-14-15(11-13)20-10-8-18-6-5-17-7-9-19-14/h3-4,11-12H,5-10H2,1-2H3
InChIKeyOHMBROYLXXLUAT-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.20
Rot. Bonds2

About 14-(1-methoxyethyl)-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene

14-(1-methoxyethyl)-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene (PubChem CID 101134725) has the molecular formula C15H22O5 and a molecular weight of 282.34 g/mol. Its IUPAC name is 14-(1-methoxyethyl)-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene.

Molecular Properties

Compound Name14-(1-methoxyethyl)-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene
PubChem CID101134725
Molecular FormulaC15H22O5
Molecular Weight282.34 g/mol
Exact Mass282.15
IUPAC Name14-(1-methoxyethyl)-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene
SMILESCOC(C)c1ccc2c(c1)OCCOCCOCCO2
InChIInChI=1S/C15H22O5/c1-12(16-2)13-3-4-14-15(11-13)20-10-8-18-6-5-17-7-9-19-14/h3-4,11-12H,5-10H2,1-2H3
InChIKeyOHMBROYLXXLUAT-UHFFFAOYSA-N
XLogP2.20
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 14-(1-methoxyethyl)-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene with MolForge

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Related Compounds

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azane;methane;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine
CID 159540292
[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]azanium
CID 7047685
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CID 651898
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CID 7780742
6-[(2S)-butan-2-yl]-2,3-dihydro-1,4-benzodioxine
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N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methoxypropanamide
CID 115588112
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpentan-3-amine
CID 79298713
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methoxypropan-1-amine
CID 62790727
bis(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
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Frequently Asked Questions

What is the IUPAC name of 14-(1-methoxyethyl)-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene?
The IUPAC name of 14-(1-methoxyethyl)-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene (CID 101134725) is 14-(1-methoxyethyl)-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene.
What is the SMILES notation for 14-(1-methoxyethyl)-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene?
The canonical SMILES for 14-(1-methoxyethyl)-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene is COC(C)c1ccc2c(c1)OCCOCCOCCO2.
What is the InChIKey of 14-(1-methoxyethyl)-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene?
The InChIKey is OHMBROYLXXLUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O5/c1-12(16-2)13-3-4-14-15(11-13)20-10-8-18-6-5-17-7-9-19-14/h3-4,11-12H,5-10H2,1-2H3.
What are the key properties of 14-(1-methoxyethyl)-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene?
14-(1-methoxyethyl)-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene has a molecular weight of 282.34 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(1-methoxyethyl)-2,5,8,11-tetraoxabicyclo[10.4.0]hexadeca-1(12),13,15-triene is sourced from PubChem (CID 101134725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).