methyl 8-tert-butyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxylate

C15H22O4 — CID 101497107

IUPACmethyl 8-tert-butyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxylate
SMILESCOC(=O)C1=CC(=O)OC12CCC(C(C)(C)C)CC2
InChIInChI=1S/C15H22O4/c1-14(2,3)10-5-7-15(8-6-10)11(13(17)18-4)9-12(16)19-15/h9-10H,5-8H2,1-4H3
InChIKeyRZKTXCVQFYPPAD-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.62
Rot. Bonds1

About methyl 8-tert-butyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxylate

methyl 8-tert-butyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxylate (PubChem CID 101497107) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl 8-tert-butyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxylate.

Molecular Properties

Compound Namemethyl 8-tert-butyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxylate
PubChem CID101497107
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Namemethyl 8-tert-butyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxylate
SMILESCOC(=O)C1=CC(=O)OC12CCC(C(C)(C)C)CC2
InChIInChI=1S/C15H22O4/c1-14(2,3)10-5-7-15(8-6-10)11(13(17)18-4)9-12(16)19-15/h9-10H,5-8H2,1-4H3
InChIKeyRZKTXCVQFYPPAD-UHFFFAOYSA-N
XLogP2.62
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 8-tert-butyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxylate?
The IUPAC name of methyl 8-tert-butyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxylate (CID 101497107) is methyl 8-tert-butyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxylate.
What is the SMILES notation for methyl 8-tert-butyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxylate?
The canonical SMILES for methyl 8-tert-butyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxylate is COC(=O)C1=CC(=O)OC12CCC(C(C)(C)C)CC2.
What is the InChIKey of methyl 8-tert-butyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxylate?
The InChIKey is RZKTXCVQFYPPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-14(2,3)10-5-7-15(8-6-10)11(13(17)18-4)9-12(16)19-15/h9-10H,5-8H2,1-4H3.
What are the key properties of methyl 8-tert-butyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxylate?
methyl 8-tert-butyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxylate has a molecular weight of 266.34 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-tert-butyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxylate is sourced from PubChem (CID 101497107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).