4-Methoxy-1-oxaspiro[5.5]undec-3-en-2-one

C11H16O3 — CID 11310098

IUPAC4-methoxy-1-oxaspiro[5.5]undec-3-en-2-one
SMILESCOC1=CC(=O)OC2(C1)CCCCC2
InChIInChI=1S/C11H16O3/c1-13-9-7-10(12)14-11(8-9)5-3-2-4-6-11/h7H,2-6,8H2,1H3
InChIKeyBJFFUPMQMSGRJY-UHFFFAOYSA-N
MW196.24 g/mol
LogP2.00
Rot. Bonds1

About 4-Methoxy-1-oxaspiro[5.5]undec-3-en-2-one

4-Methoxy-1-oxaspiro[5.5]undec-3-en-2-one (PubChem CID 11310098) has the molecular formula C11H16O3 and a molecular weight of 196.24 g/mol. Its IUPAC name is 4-methoxy-1-oxaspiro[5.5]undec-3-en-2-one.

Molecular Properties

Compound Name4-Methoxy-1-oxaspiro[5.5]undec-3-en-2-one
PubChem CID11310098
Molecular FormulaC11H16O3
Molecular Weight196.24 g/mol
Exact Mass196.11
IUPAC Name4-methoxy-1-oxaspiro[5.5]undec-3-en-2-one
SMILESCOC1=CC(=O)OC2(C1)CCCCC2
InChIInChI=1S/C11H16O3/c1-13-9-7-10(12)14-11(8-9)5-3-2-4-6-11/h7H,2-6,8H2,1H3
InChIKeyBJFFUPMQMSGRJY-UHFFFAOYSA-N
XLogP2.00
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity262

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methoxy-1-oxaspiro[4.5]dec-3-en-2-one
CID 581148
6-cyclohexyl-4-methyl-2H-pyran-2-one
CID 19858323
3,5a-Dimethyl-6,7,8,9-tetrahydropyrano[4,3-b]chromen-1-one
CID 44431109
4-Methoxy-2-pentyl-2,3-dihydropyran-6-one
CID 12213830
4-Ethoxy-1-oxaspiro[4.5]dec-3-en-2-one
CID 13209948
Ethyl 2-methyl-1-oxaspiro[5.5]undeca-2,4-diene-3-carboxylate
CID 135069632
1-Oxaspiro[5.5]undec-3-en-2-one
CID 19912101
4-Hydroxy-1-oxaspiro[5.5]undec-3-en-2-one
CID 54697440
4-Methoxy-4a,5,6,7,8,8a-hexahydrochromen-2-one
CID 12213832
2-Cyclohexyl-4-methoxy-2,3-dihydropyran-6-one
CID 24829159
(2S,3R)-2-cyclohexyl-4-methoxy-3-methyl-2,3-dihydropyran-6-one
CID 101955746
2-(cyclohexen-1-yl)-4-ethyl-2-methyl-3H-pyran-6-one
CID 134963574

Frequently Asked Questions

What is the IUPAC name of 4-Methoxy-1-oxaspiro[5.5]undec-3-en-2-one?
The IUPAC name of 4-Methoxy-1-oxaspiro[5.5]undec-3-en-2-one (CID 11310098) is 4-methoxy-1-oxaspiro[5.5]undec-3-en-2-one.
What is the SMILES notation for 4-Methoxy-1-oxaspiro[5.5]undec-3-en-2-one?
The canonical SMILES for 4-Methoxy-1-oxaspiro[5.5]undec-3-en-2-one is COC1=CC(=O)OC2(C1)CCCCC2.
What is the InChIKey of 4-Methoxy-1-oxaspiro[5.5]undec-3-en-2-one?
The InChIKey is BJFFUPMQMSGRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-13-9-7-10(12)14-11(8-9)5-3-2-4-6-11/h7H,2-6,8H2,1H3.
What are the key properties of 4-Methoxy-1-oxaspiro[5.5]undec-3-en-2-one?
4-Methoxy-1-oxaspiro[5.5]undec-3-en-2-one has a molecular weight of 196.24 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-Methoxy-1-oxaspiro[5.5]undec-3-en-2-one is sourced from PubChem (CID 11310098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).