(8-cyclohexyl-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl) hydrogen carbonate

C15H23NO4 — CID 69117000

IUPAC(8-cyclohexyl-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl) hydrogen carbonate
SMILESO=C(O)OC1=NOC2(CCC(C3CCCCC3)CC2)C1
InChIInChI=1S/C15H23NO4/c17-14(18)19-13-10-15(20-16-13)8-6-12(7-9-15)11-4-2-1-3-5-11/h11-12H,1-10H2,(H,17,18)
InChIKeyYACWGPQTRVCMEN-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.92
Rot. Bonds1

About (8-cyclohexyl-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl) hydrogen carbonate

(8-cyclohexyl-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl) hydrogen carbonate (PubChem CID 69117000) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is (8-cyclohexyl-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl) hydrogen carbonate.

Molecular Properties

Compound Name(8-cyclohexyl-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl) hydrogen carbonate
PubChem CID69117000
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name(8-cyclohexyl-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl) hydrogen carbonate
SMILESO=C(O)OC1=NOC2(CCC(C3CCCCC3)CC2)C1
InChIInChI=1S/C15H23NO4/c17-14(18)19-13-10-15(20-16-13)8-6-12(7-9-15)11-4-2-1-3-5-11/h11-12H,1-10H2,(H,17,18)
InChIKeyYACWGPQTRVCMEN-UHFFFAOYSA-N
XLogP3.92
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8-cyclohexyl-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl) hydrogen carbonate?
The IUPAC name of (8-cyclohexyl-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl) hydrogen carbonate (CID 69117000) is (8-cyclohexyl-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl) hydrogen carbonate.
What is the SMILES notation for (8-cyclohexyl-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl) hydrogen carbonate?
The canonical SMILES for (8-cyclohexyl-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl) hydrogen carbonate is O=C(O)OC1=NOC2(CCC(C3CCCCC3)CC2)C1.
What is the InChIKey of (8-cyclohexyl-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl) hydrogen carbonate?
The InChIKey is YACWGPQTRVCMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c17-14(18)19-13-10-15(20-16-13)8-6-12(7-9-15)11-4-2-1-3-5-11/h11-12H,1-10H2,(H,17,18).
What are the key properties of (8-cyclohexyl-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl) hydrogen carbonate?
(8-cyclohexyl-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl) hydrogen carbonate has a molecular weight of 281.35 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-cyclohexyl-1-oxa-2-azaspiro[4.5]dec-2-en-3-yl) hydrogen carbonate is sourced from PubChem (CID 69117000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).