methyl (1R,5S,6R)-2-(methoxymethoxy)-2'-oxospiro[bicyclo[3.1.0]hex-2-ene-6,1'-cyclohexane]-3-carboxylate

C15H20O5 — CID 102311150

IUPACmethyl (1R,5S,6R)-2-(methoxymethoxy)-2'-oxospiro[bicyclo[3.1.0]hex-2-ene-6,1'-cyclohexane]-3-carboxylate
SMILESCOCOC1=C(C(=O)OC)C[C@H]2[C@@H]1[C@@]21CCCCC1=O
InChIInChI=1S/C15H20O5/c1-18-8-20-13-9(14(17)19-2)7-10-12(13)15(10)6-4-3-5-11(15)16/h10,12H,3-8H2,1-2H3/t10-,12-,15-/m0/s1
InChIKeyRDJSMOSDMKYGML-WBIUFABUSA-N
MW280.32 g/mol
LogP1.81
Rot. Bonds4

About methyl (1R,5S,6R)-2-(methoxymethoxy)-2'-oxospiro[bicyclo[3.1.0]hex-2-ene-6,1'-cyclohexane]-3-carboxylate

methyl (1R,5S,6R)-2-(methoxymethoxy)-2'-oxospiro[bicyclo[3.1.0]hex-2-ene-6,1'-cyclohexane]-3-carboxylate (PubChem CID 102311150) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is methyl (1R,5S,6R)-2-(methoxymethoxy)-2'-oxospiro[bicyclo[3.1.0]hex-2-ene-6,1'-cyclohexane]-3-carboxylate.

Molecular Properties

Compound Namemethyl (1R,5S,6R)-2-(methoxymethoxy)-2'-oxospiro[bicyclo[3.1.0]hex-2-ene-6,1'-cyclohexane]-3-carboxylate
PubChem CID102311150
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Namemethyl (1R,5S,6R)-2-(methoxymethoxy)-2'-oxospiro[bicyclo[3.1.0]hex-2-ene-6,1'-cyclohexane]-3-carboxylate
SMILESCOCOC1=C(C(=O)OC)C[C@H]2[C@@H]1[C@@]21CCCCC1=O
InChIInChI=1S/C15H20O5/c1-18-8-20-13-9(14(17)19-2)7-10-12(13)15(10)6-4-3-5-11(15)16/h10,12H,3-8H2,1-2H3/t10-,12-,15-/m0/s1
InChIKeyRDJSMOSDMKYGML-WBIUFABUSA-N
XLogP1.81
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (1R,5S,6R)-2-(methoxymethoxy)-2'-oxospiro[bicyclo[3.1.0]hex-2-ene-6,1'-cyclohexane]-3-carboxylate?
The IUPAC name of methyl (1R,5S,6R)-2-(methoxymethoxy)-2'-oxospiro[bicyclo[3.1.0]hex-2-ene-6,1'-cyclohexane]-3-carboxylate (CID 102311150) is methyl (1R,5S,6R)-2-(methoxymethoxy)-2'-oxospiro[bicyclo[3.1.0]hex-2-ene-6,1'-cyclohexane]-3-carboxylate.
What is the SMILES notation for methyl (1R,5S,6R)-2-(methoxymethoxy)-2'-oxospiro[bicyclo[3.1.0]hex-2-ene-6,1'-cyclohexane]-3-carboxylate?
The canonical SMILES for methyl (1R,5S,6R)-2-(methoxymethoxy)-2'-oxospiro[bicyclo[3.1.0]hex-2-ene-6,1'-cyclohexane]-3-carboxylate is COCOC1=C(C(=O)OC)C[C@H]2[C@@H]1[C@@]21CCCCC1=O.
What is the InChIKey of methyl (1R,5S,6R)-2-(methoxymethoxy)-2'-oxospiro[bicyclo[3.1.0]hex-2-ene-6,1'-cyclohexane]-3-carboxylate?
The InChIKey is RDJSMOSDMKYGML-WBIUFABUSA-N. The full InChI is InChI=1S/C15H20O5/c1-18-8-20-13-9(14(17)19-2)7-10-12(13)15(10)6-4-3-5-11(15)16/h10,12H,3-8H2,1-2H3/t10-,12-,15-/m0/s1.
What are the key properties of methyl (1R,5S,6R)-2-(methoxymethoxy)-2'-oxospiro[bicyclo[3.1.0]hex-2-ene-6,1'-cyclohexane]-3-carboxylate?
methyl (1R,5S,6R)-2-(methoxymethoxy)-2'-oxospiro[bicyclo[3.1.0]hex-2-ene-6,1'-cyclohexane]-3-carboxylate has a molecular weight of 280.32 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,5S,6R)-2-(methoxymethoxy)-2'-oxospiro[bicyclo[3.1.0]hex-2-ene-6,1'-cyclohexane]-3-carboxylate is sourced from PubChem (CID 102311150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).