ethane;4-(6-methyl-3-pyridinyl)oxan-4-ol

C13H21NO2 — CID 156651418

IUPACethane;4-(6-methyl-3-pyridinyl)oxan-4-ol
SMILESCC.Cc1ccc(C2(O)CCOCC2)cn1
InChIInChI=1S/C11H15NO2.C2H6/c1-9-2-3-10(8-12-9)11(13)4-6-14-7-5-11;1-2/h2-3,8,13H,4-7H2,1H3;1-2H3
InChIKeyZBRZYMMOYUNLDS-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.41
Rot. Bonds1

About ethane;4-(6-methyl-3-pyridinyl)oxan-4-ol

ethane;4-(6-methyl-3-pyridinyl)oxan-4-ol (PubChem CID 156651418) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is ethane;4-(6-methyl-3-pyridinyl)oxan-4-ol.

Molecular Properties

Compound Nameethane;4-(6-methyl-3-pyridinyl)oxan-4-ol
PubChem CID156651418
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Nameethane;4-(6-methyl-3-pyridinyl)oxan-4-ol
SMILESCC.Cc1ccc(C2(O)CCOCC2)cn1
InChIInChI=1S/C11H15NO2.C2H6/c1-9-2-3-10(8-12-9)11(13)4-6-14-7-5-11;1-2/h2-3,8,13H,4-7H2,1H3;1-2H3
InChIKeyZBRZYMMOYUNLDS-UHFFFAOYSA-N
XLogP2.41
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;4-(6-methyl-3-pyridinyl)oxan-4-ol?
The IUPAC name of ethane;4-(6-methyl-3-pyridinyl)oxan-4-ol (CID 156651418) is ethane;4-(6-methyl-3-pyridinyl)oxan-4-ol.
What is the SMILES notation for ethane;4-(6-methyl-3-pyridinyl)oxan-4-ol?
The canonical SMILES for ethane;4-(6-methyl-3-pyridinyl)oxan-4-ol is CC.Cc1ccc(C2(O)CCOCC2)cn1.
What is the InChIKey of ethane;4-(6-methyl-3-pyridinyl)oxan-4-ol?
The InChIKey is ZBRZYMMOYUNLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2.C2H6/c1-9-2-3-10(8-12-9)11(13)4-6-14-7-5-11;1-2/h2-3,8,13H,4-7H2,1H3;1-2H3.
What are the key properties of ethane;4-(6-methyl-3-pyridinyl)oxan-4-ol?
ethane;4-(6-methyl-3-pyridinyl)oxan-4-ol has a molecular weight of 223.32 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(6-methyl-3-pyridinyl)oxan-4-ol is sourced from PubChem (CID 156651418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).