ethane;2-(oxolan-3-ylmethoxy)-5-propan-2-yl-4H-pyridin-4-ide;yttrium

C15H24NO2Y- — CID 177235334

IUPACethane;2-(oxolan-3-ylmethoxy)-5-propan-2-yl-4H-pyridin-4-ide;yttrium
SMILESCC.CC(C)c1[c-]cc(OCC2CCOC2)nc1.[Y]
InChIInChI=1S/C13H18NO2.C2H6.Y/c1-10(2)12-3-4-13(14-7-12)16-9-11-5-6-15-8-11;1-2;/h4,7,10-11H,5-6,8-9H2,1-2H3;1-2H3;/q-1;;
InChIKeyGFSGBNWWCBXUBG-UHFFFAOYSA-N
MW339.27 g/mol
LogP3.44
Rot. Bonds4

About ethane;2-(oxolan-3-ylmethoxy)-5-propan-2-yl-4H-pyridin-4-ide;yttrium

ethane;2-(oxolan-3-ylmethoxy)-5-propan-2-yl-4H-pyridin-4-ide;yttrium (PubChem CID 177235334) has the molecular formula C15H24NO2Y- and a molecular weight of 339.27 g/mol. Its IUPAC name is ethane;2-(oxolan-3-ylmethoxy)-5-propan-2-yl-4H-pyridin-4-ide;yttrium.

Molecular Properties

Compound Nameethane;2-(oxolan-3-ylmethoxy)-5-propan-2-yl-4H-pyridin-4-ide;yttrium
PubChem CID177235334
Molecular FormulaC15H24NO2Y-
Molecular Weight339.27 g/mol
Exact Mass339.09
IUPAC Nameethane;2-(oxolan-3-ylmethoxy)-5-propan-2-yl-4H-pyridin-4-ide;yttrium
SMILESCC.CC(C)c1[c-]cc(OCC2CCOC2)nc1.[Y]
InChIInChI=1S/C13H18NO2.C2H6.Y/c1-10(2)12-3-4-13(14-7-12)16-9-11-5-6-15-8-11;1-2;/h4,7,10-11H,5-6,8-9H2,1-2H3;1-2H3;/q-1;;
InChIKeyGFSGBNWWCBXUBG-UHFFFAOYSA-N
XLogP3.44
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.27
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopropylmethoxy)-5-propan-2-yl-4H-pyridin-4-ide;ethane;yttrium
CID 168176142
2-(oxan-4-ylmethoxy)-5-propan-2-yl-4H-pyridin-4-ide;yttrium
CID 168176272
5-ethyl-2-(oxolan-3-ylmethoxy)-4H-pyridin-4-ide;yttrium
CID 168176345
2-(oxolan-3-ylmethoxy)-5-propan-2-yl-4H-pyridin-4-ide;yttrium
CID 168176386
5-ethyl-2-(oxan-4-ylmethoxy)-4H-pyridin-4-ide;yttrium
CID 172337074
6-methoxy-4-propan-2-yl-3H-pyridin-3-ide;yttrium
CID 176600357
2-(cyclopropylmethoxy)-5-propan-2-yl-4H-pyridin-4-ide;yttrium
CID 176600372

Frequently Asked Questions

What is the IUPAC name of ethane;2-(oxolan-3-ylmethoxy)-5-propan-2-yl-4H-pyridin-4-ide;yttrium?
The IUPAC name of ethane;2-(oxolan-3-ylmethoxy)-5-propan-2-yl-4H-pyridin-4-ide;yttrium (CID 177235334) is ethane;2-(oxolan-3-ylmethoxy)-5-propan-2-yl-4H-pyridin-4-ide;yttrium.
What is the SMILES notation for ethane;2-(oxolan-3-ylmethoxy)-5-propan-2-yl-4H-pyridin-4-ide;yttrium?
The canonical SMILES for ethane;2-(oxolan-3-ylmethoxy)-5-propan-2-yl-4H-pyridin-4-ide;yttrium is CC.CC(C)c1[c-]cc(OCC2CCOC2)nc1.[Y].
What is the InChIKey of ethane;2-(oxolan-3-ylmethoxy)-5-propan-2-yl-4H-pyridin-4-ide;yttrium?
The InChIKey is GFSGBNWWCBXUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18NO2.C2H6.Y/c1-10(2)12-3-4-13(14-7-12)16-9-11-5-6-15-8-11;1-2;/h4,7,10-11H,5-6,8-9H2,1-2H3;1-2H3;/q-1;;.
What are the key properties of ethane;2-(oxolan-3-ylmethoxy)-5-propan-2-yl-4H-pyridin-4-ide;yttrium?
ethane;2-(oxolan-3-ylmethoxy)-5-propan-2-yl-4H-pyridin-4-ide;yttrium has a molecular weight of 339.27 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(oxolan-3-ylmethoxy)-5-propan-2-yl-4H-pyridin-4-ide;yttrium is sourced from PubChem (CID 177235334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).