2-[(2-methylpropan-2-yl)oxy]-1-oxaspiro[5.5]undec-3-en-5-one

C14H22O3 — CID 162412813

IUPAC2-[(2-methylpropan-2-yl)oxy]-1-oxaspiro[5.5]undec-3-en-5-one
SMILESCC(C)(C)OC1C=CC(=O)C2(CCCCC2)O1
InChIInChI=1S/C14H22O3/c1-13(2,3)16-12-8-7-11(15)14(17-12)9-5-4-6-10-14/h7-8,12H,4-6,9-10H2,1-3H3
InChIKeyRSUJUFKYGZPNJC-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.99
Rot. Bonds1

About 2-[(2-methylpropan-2-yl)oxy]-1-oxaspiro[5.5]undec-3-en-5-one

2-[(2-methylpropan-2-yl)oxy]-1-oxaspiro[5.5]undec-3-en-5-one (PubChem CID 162412813) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxy]-1-oxaspiro[5.5]undec-3-en-5-one.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxy]-1-oxaspiro[5.5]undec-3-en-5-one
PubChem CID162412813
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name2-[(2-methylpropan-2-yl)oxy]-1-oxaspiro[5.5]undec-3-en-5-one
SMILESCC(C)(C)OC1C=CC(=O)C2(CCCCC2)O1
InChIInChI=1S/C14H22O3/c1-13(2,3)16-12-8-7-11(15)14(17-12)9-5-4-6-10-14/h7-8,12H,4-6,9-10H2,1-3H3
InChIKeyRSUJUFKYGZPNJC-UHFFFAOYSA-N
XLogP2.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-(2-methylcyclohex-2-en-1-yl)-2H-pyran-5-one
CID 14802850
6-cyclohexyl-2-hydroxy-2H-pyran-5-one
CID 14641213
2-Hydroxy-1-oxaspiro[5.5]undec-3-en-5-one
CID 11052277
2-Cyclohexyl-6-hydroperoxy-6-methylpyran-3-one
CID 11310684
2-Hydroxy-2-methyl-1-oxaspiro[5.5]undec-3-en-5-one
CID 15190721
(5-Oxo-1-oxaspiro[5.5]undec-3-en-2-yl) acetate
CID 122382413
(2R)-2-hydroxy-1-oxaspiro[5.5]undec-3-en-5-one
CID 129364170
[(2S)-5-oxo-2H-pyran-2-yl] 3-cyclohexylpropanoate
CID 132517052
(5-Oxo-1-oxaspiro[5.6]dodec-3-en-2-yl) acetate
CID 132579907
[6-(4-methylpent-4-enyl)-5-oxo-2H-pyran-2-yl] acetate
CID 134891210
[5-oxo-6-(3-prop-1-en-2-ylhexyl)-2H-pyran-2-yl] acetate
CID 135053300
6-cyclohexyl-2-hydroxy-6-prop-2-enyl-2H-pyran-5-one
CID 176429017

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-1-oxaspiro[5.5]undec-3-en-5-one?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxy]-1-oxaspiro[5.5]undec-3-en-5-one (CID 162412813) is 2-[(2-methylpropan-2-yl)oxy]-1-oxaspiro[5.5]undec-3-en-5-one.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxy]-1-oxaspiro[5.5]undec-3-en-5-one?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxy]-1-oxaspiro[5.5]undec-3-en-5-one is CC(C)(C)OC1C=CC(=O)C2(CCCCC2)O1.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxy]-1-oxaspiro[5.5]undec-3-en-5-one?
The InChIKey is RSUJUFKYGZPNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-13(2,3)16-12-8-7-11(15)14(17-12)9-5-4-6-10-14/h7-8,12H,4-6,9-10H2,1-3H3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxy]-1-oxaspiro[5.5]undec-3-en-5-one?
2-[(2-methylpropan-2-yl)oxy]-1-oxaspiro[5.5]undec-3-en-5-one has a molecular weight of 238.33 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxy]-1-oxaspiro[5.5]undec-3-en-5-one is sourced from PubChem (CID 162412813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).