[6-(cyclohexylmethoxy)-3-pyridinyl] oxane-4-carboxylate

C18H25NO4 — CID 175749416

IUPAC[6-(cyclohexylmethoxy)-3-pyridinyl] oxane-4-carboxylate
SMILESO=C(Oc1ccc(OCC2CCCCC2)nc1)C1CCOCC1
InChIInChI=1S/C18H25NO4/c20-18(15-8-10-21-11-9-15)23-16-6-7-17(19-12-16)22-13-14-4-2-1-3-5-14/h6-7,12,14-15H,1-5,8-11,13H2
InChIKeyARSWPUCMGLJUTH-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.37
Rot. Bonds5

About [6-(cyclohexylmethoxy)-3-pyridinyl] oxane-4-carboxylate

[6-(cyclohexylmethoxy)-3-pyridinyl] oxane-4-carboxylate (PubChem CID 175749416) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is [6-(cyclohexylmethoxy)-3-pyridinyl] oxane-4-carboxylate.

Molecular Properties

Compound Name[6-(cyclohexylmethoxy)-3-pyridinyl] oxane-4-carboxylate
PubChem CID175749416
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name[6-(cyclohexylmethoxy)-3-pyridinyl] oxane-4-carboxylate
SMILESO=C(Oc1ccc(OCC2CCCCC2)nc1)C1CCOCC1
InChIInChI=1S/C18H25NO4/c20-18(15-8-10-21-11-9-15)23-16-6-7-17(19-12-16)22-13-14-4-2-1-3-5-14/h6-7,12,14-15H,1-5,8-11,13H2
InChIKeyARSWPUCMGLJUTH-UHFFFAOYSA-N
XLogP3.37
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(cyclohexylmethoxy)-3-pyridinyl] oxane-4-carboxylate?
The IUPAC name of [6-(cyclohexylmethoxy)-3-pyridinyl] oxane-4-carboxylate (CID 175749416) is [6-(cyclohexylmethoxy)-3-pyridinyl] oxane-4-carboxylate.
What is the SMILES notation for [6-(cyclohexylmethoxy)-3-pyridinyl] oxane-4-carboxylate?
The canonical SMILES for [6-(cyclohexylmethoxy)-3-pyridinyl] oxane-4-carboxylate is O=C(Oc1ccc(OCC2CCCCC2)nc1)C1CCOCC1.
What is the InChIKey of [6-(cyclohexylmethoxy)-3-pyridinyl] oxane-4-carboxylate?
The InChIKey is ARSWPUCMGLJUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c20-18(15-8-10-21-11-9-15)23-16-6-7-17(19-12-16)22-13-14-4-2-1-3-5-14/h6-7,12,14-15H,1-5,8-11,13H2.
What are the key properties of [6-(cyclohexylmethoxy)-3-pyridinyl] oxane-4-carboxylate?
[6-(cyclohexylmethoxy)-3-pyridinyl] oxane-4-carboxylate has a molecular weight of 319.40 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(cyclohexylmethoxy)-3-pyridinyl] oxane-4-carboxylate is sourced from PubChem (CID 175749416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).