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

C15H24O3 — CID 12709617

IUPACmethyl 2-tert-butyl-1-oxaspiro[4.5]dec-2-ene-4-carboxylate
SMILESCOC(=O)C1C=C(C(C)(C)C)OC12CCCCC2
InChIInChI=1S/C15H24O3/c1-14(2,3)12-10-11(13(16)17-4)15(18-12)8-6-5-7-9-15/h10-11H,5-9H2,1-4H3
InChIKeyWZFYEZIGJKTOCB-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.44
Rot. Bonds1

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

methyl 2-tert-butyl-1-oxaspiro[4.5]dec-2-ene-4-carboxylate (PubChem CID 12709617) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is methyl 2-tert-butyl-1-oxaspiro[4.5]dec-2-ene-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-tert-butyl-1-oxaspiro[4.5]dec-2-ene-4-carboxylate
PubChem CID12709617
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Namemethyl 2-tert-butyl-1-oxaspiro[4.5]dec-2-ene-4-carboxylate
SMILESCOC(=O)C1C=C(C(C)(C)C)OC12CCCCC2
InChIInChI=1S/C15H24O3/c1-14(2,3)12-10-11(13(16)17-4)15(18-12)8-6-5-7-9-15/h10-11H,5-9H2,1-4H3
InChIKeyWZFYEZIGJKTOCB-UHFFFAOYSA-N
XLogP3.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-tert-butyl-1-oxaspiro[4.5]dec-2-ene-4-carboxylate?
The IUPAC name of methyl 2-tert-butyl-1-oxaspiro[4.5]dec-2-ene-4-carboxylate (CID 12709617) is methyl 2-tert-butyl-1-oxaspiro[4.5]dec-2-ene-4-carboxylate.
What is the SMILES notation for methyl 2-tert-butyl-1-oxaspiro[4.5]dec-2-ene-4-carboxylate?
The canonical SMILES for methyl 2-tert-butyl-1-oxaspiro[4.5]dec-2-ene-4-carboxylate is COC(=O)C1C=C(C(C)(C)C)OC12CCCCC2.
What is the InChIKey of methyl 2-tert-butyl-1-oxaspiro[4.5]dec-2-ene-4-carboxylate?
The InChIKey is WZFYEZIGJKTOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-14(2,3)12-10-11(13(16)17-4)15(18-12)8-6-5-7-9-15/h10-11H,5-9H2,1-4H3.
What are the key properties of methyl 2-tert-butyl-1-oxaspiro[4.5]dec-2-ene-4-carboxylate?
methyl 2-tert-butyl-1-oxaspiro[4.5]dec-2-ene-4-carboxylate has a molecular weight of 252.35 g/mol, XLogP of 3.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-tert-butyl-1-oxaspiro[4.5]dec-2-ene-4-carboxylate is sourced from PubChem (CID 12709617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).