cyclohexyl 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate

C15H20O5 — CID 59602241

IUPACcyclohexyl 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
SMILESO=C(OC1CCCCC1)C1C2CC3C(OC(=O)C31)C2O
InChIInChI=1S/C15H20O5/c16-12-8-6-9-11(15(18)20-13(9)12)10(8)14(17)19-7-4-2-1-3-5-7/h7-13,16H,1-6H2
InChIKeyYCFGVZXMDIJUQH-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.03
Rot. Bonds2

About cyclohexyl 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate

cyclohexyl 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate (PubChem CID 59602241) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is cyclohexyl 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate.

Molecular Properties

Compound Namecyclohexyl 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
PubChem CID59602241
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Namecyclohexyl 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
SMILESO=C(OC1CCCCC1)C1C2CC3C(OC(=O)C31)C2O
InChIInChI=1S/C15H20O5/c16-12-8-6-9-11(15(18)20-13(9)12)10(8)14(17)19-7-4-2-1-3-5-7/h7-13,16H,1-6H2
InChIKeyYCFGVZXMDIJUQH-UHFFFAOYSA-N
XLogP1.03
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate?
The IUPAC name of cyclohexyl 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate (CID 59602241) is cyclohexyl 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate.
What is the SMILES notation for cyclohexyl 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate?
The canonical SMILES for cyclohexyl 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate is O=C(OC1CCCCC1)C1C2CC3C(OC(=O)C31)C2O.
What is the InChIKey of cyclohexyl 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate?
The InChIKey is YCFGVZXMDIJUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O5/c16-12-8-6-9-11(15(18)20-13(9)12)10(8)14(17)19-7-4-2-1-3-5-7/h7-13,16H,1-6H2.
What are the key properties of cyclohexyl 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate?
cyclohexyl 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate has a molecular weight of 280.32 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate is sourced from PubChem (CID 59602241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).