2-methoxy-3-[[3-(oxiran-2-ylmethoxy)-2-bicyclo[2.2.1]heptanyl]oxy]propan-1-ol;yttrium

C14H24O5Y — CID 58841658

IUPAC2-methoxy-3-[[3-(oxiran-2-ylmethoxy)-2-bicyclo[2.2.1]heptanyl]oxy]propan-1-ol;yttrium
SMILESCOC(CO)COC1C2CCC(C2)C1OCC1CO1.[Y]
InChIInChI=1S/C14H24O5.Y/c1-16-11(5-15)6-18-13-9-2-3-10(4-9)14(13)19-8-12-7-17-12;/h9-15H,2-8H2,1H3;
InChIKeyQMQJEYQXVSXPKN-UHFFFAOYSA-N
MW361.25 g/mol
LogP0.59
Rot. Bonds8

About 2-methoxy-3-[[3-(oxiran-2-ylmethoxy)-2-bicyclo[2.2.1]heptanyl]oxy]propan-1-ol;yttrium

2-methoxy-3-[[3-(oxiran-2-ylmethoxy)-2-bicyclo[2.2.1]heptanyl]oxy]propan-1-ol;yttrium (PubChem CID 58841658) has the molecular formula C14H24O5Y and a molecular weight of 361.25 g/mol. Its IUPAC name is 2-methoxy-3-[[3-(oxiran-2-ylmethoxy)-2-bicyclo[2.2.1]heptanyl]oxy]propan-1-ol;yttrium.

Molecular Properties

Compound Name2-methoxy-3-[[3-(oxiran-2-ylmethoxy)-2-bicyclo[2.2.1]heptanyl]oxy]propan-1-ol;yttrium
PubChem CID58841658
Molecular FormulaC14H24O5Y
Molecular Weight361.25 g/mol
Exact Mass361.07
IUPAC Name2-methoxy-3-[[3-(oxiran-2-ylmethoxy)-2-bicyclo[2.2.1]heptanyl]oxy]propan-1-ol;yttrium
SMILESCOC(CO)COC1C2CCC(C2)C1OCC1CO1.[Y]
InChIInChI=1S/C14H24O5.Y/c1-16-11(5-15)6-18-13-9-2-3-10(4-9)14(13)19-8-12-7-17-12;/h9-15H,2-8H2,1H3;
InChIKeyQMQJEYQXVSXPKN-UHFFFAOYSA-N
XLogP0.59
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.25
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-methoxy-3-[[3-(oxiran-2-ylmethoxy)-2-bicyclo[2.2.1]heptanyl]oxy]propan-1-ol;yttrium with MolForge

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Related Compounds

2-(4-tricyclo[5.2.1.02,6]decanyloxymethyl)oxirane
CID 58519968
(2R)-2-[[(2S)-oxiran-2-yl]methoxy]-3-[[(2R)-oxiran-2-yl]methoxy]propan-1-ol
CID 93477933
2,3-bis(oxiran-2-ylmethoxy)propan-1-ol;2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane
CID 158197483
(1S,5S)-8-methyl-3-[[(2R)-oxiran-2-yl]methoxy]-8-azabicyclo[3.2.1]octane
CID 124554723
[1-hydroxy-3-(oxiran-2-ylmethoxy)propan-2-yl] prop-2-enoate
CID 88624989
2-(2-hydroxyethoxy)-1-methoxyethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 22726121
(5R)-5-[(2R)-3-hydroxy-2-methoxypropyl]oxolan-2-one
CID 23238602
2-methylpropan-1-ol;oxiran-2-ylmethanol
CID 174774669
ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87071861
2-(oxiran-2-ylmethoxymethyl)oxirane;bis(propane-1,2,3-triol)
CID 23284067
CID 158430228
CID 158430228
(2R,3R,4R,5S)-2,3,4,5,6-pentakis(oxiran-2-ylmethoxy)hexan-1-ol
CID 18663669

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[[3-(oxiran-2-ylmethoxy)-2-bicyclo[2.2.1]heptanyl]oxy]propan-1-ol;yttrium?
The IUPAC name of 2-methoxy-3-[[3-(oxiran-2-ylmethoxy)-2-bicyclo[2.2.1]heptanyl]oxy]propan-1-ol;yttrium (CID 58841658) is 2-methoxy-3-[[3-(oxiran-2-ylmethoxy)-2-bicyclo[2.2.1]heptanyl]oxy]propan-1-ol;yttrium.
What is the SMILES notation for 2-methoxy-3-[[3-(oxiran-2-ylmethoxy)-2-bicyclo[2.2.1]heptanyl]oxy]propan-1-ol;yttrium?
The canonical SMILES for 2-methoxy-3-[[3-(oxiran-2-ylmethoxy)-2-bicyclo[2.2.1]heptanyl]oxy]propan-1-ol;yttrium is COC(CO)COC1C2CCC(C2)C1OCC1CO1.[Y].
What is the InChIKey of 2-methoxy-3-[[3-(oxiran-2-ylmethoxy)-2-bicyclo[2.2.1]heptanyl]oxy]propan-1-ol;yttrium?
The InChIKey is QMQJEYQXVSXPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O5.Y/c1-16-11(5-15)6-18-13-9-2-3-10(4-9)14(13)19-8-12-7-17-12;/h9-15H,2-8H2,1H3;.
What are the key properties of 2-methoxy-3-[[3-(oxiran-2-ylmethoxy)-2-bicyclo[2.2.1]heptanyl]oxy]propan-1-ol;yttrium?
2-methoxy-3-[[3-(oxiran-2-ylmethoxy)-2-bicyclo[2.2.1]heptanyl]oxy]propan-1-ol;yttrium has a molecular weight of 361.25 g/mol, XLogP of 0.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[[3-(oxiran-2-ylmethoxy)-2-bicyclo[2.2.1]heptanyl]oxy]propan-1-ol;yttrium is sourced from PubChem (CID 58841658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).