tert-butyl 10-oxospiro[4.5]dec-2-ene-3-carboxylate

C15H22O3 — CID 10857895

IUPACtert-butyl 10-oxospiro[4.5]dec-2-ene-3-carboxylate
SMILESCC(C)(C)OC(=O)C1=CCC2(CCCCC2=O)C1
InChIInChI=1S/C15H22O3/c1-14(2,3)18-13(17)11-7-9-15(10-11)8-5-4-6-12(15)16/h7H,4-6,8-10H2,1-3H3
InChIKeyCEUIQVYCQWXGTI-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.18
Rot. Bonds1

About tert-butyl 10-oxospiro[4.5]dec-2-ene-3-carboxylate

tert-butyl 10-oxospiro[4.5]dec-2-ene-3-carboxylate (PubChem CID 10857895) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is tert-butyl 10-oxospiro[4.5]dec-2-ene-3-carboxylate.

Molecular Properties

Compound Nametert-butyl 10-oxospiro[4.5]dec-2-ene-3-carboxylate
PubChem CID10857895
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Nametert-butyl 10-oxospiro[4.5]dec-2-ene-3-carboxylate
SMILESCC(C)(C)OC(=O)C1=CCC2(CCCCC2=O)C1
InChIInChI=1S/C15H22O3/c1-14(2,3)18-13(17)11-7-9-15(10-11)8-5-4-6-12(15)16/h7H,4-6,8-10H2,1-3H3
InChIKeyCEUIQVYCQWXGTI-UHFFFAOYSA-N
XLogP3.18
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 10-oxospiro[4.5]dec-2-ene-3-carboxylate?
The IUPAC name of tert-butyl 10-oxospiro[4.5]dec-2-ene-3-carboxylate (CID 10857895) is tert-butyl 10-oxospiro[4.5]dec-2-ene-3-carboxylate.
What is the SMILES notation for tert-butyl 10-oxospiro[4.5]dec-2-ene-3-carboxylate?
The canonical SMILES for tert-butyl 10-oxospiro[4.5]dec-2-ene-3-carboxylate is CC(C)(C)OC(=O)C1=CCC2(CCCCC2=O)C1.
What is the InChIKey of tert-butyl 10-oxospiro[4.5]dec-2-ene-3-carboxylate?
The InChIKey is CEUIQVYCQWXGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-14(2,3)18-13(17)11-7-9-15(10-11)8-5-4-6-12(15)16/h7H,4-6,8-10H2,1-3H3.
What are the key properties of tert-butyl 10-oxospiro[4.5]dec-2-ene-3-carboxylate?
tert-butyl 10-oxospiro[4.5]dec-2-ene-3-carboxylate has a molecular weight of 250.34 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 10-oxospiro[4.5]dec-2-ene-3-carboxylate is sourced from PubChem (CID 10857895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).