10-methoxy-3,3-dimethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one

C12H16O4 — CID 134937634

IUPAC10-methoxy-3,3-dimethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one
SMILESCOC1=CC2(C=CC1=O)OCC(C)(C)CO2
InChIInChI=1S/C12H16O4/c1-11(2)7-15-12(16-8-11)5-4-9(13)10(6-12)14-3/h4-6H,7-8H2,1-3H3
InChIKeyUMNAZIJBBLUBGS-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.42
Rot. Bonds1

About 10-methoxy-3,3-dimethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one

10-methoxy-3,3-dimethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one (PubChem CID 134937634) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 10-methoxy-3,3-dimethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one.

Molecular Properties

Compound Name10-methoxy-3,3-dimethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one
PubChem CID134937634
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name10-methoxy-3,3-dimethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one
SMILESCOC1=CC2(C=CC1=O)OCC(C)(C)CO2
InChIInChI=1S/C12H16O4/c1-11(2)7-15-12(16-8-11)5-4-9(13)10(6-12)14-3/h4-6H,7-8H2,1-3H3
InChIKeyUMNAZIJBBLUBGS-UHFFFAOYSA-N
XLogP1.42
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-methoxy-3,3-dimethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one?
The IUPAC name of 10-methoxy-3,3-dimethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one (CID 134937634) is 10-methoxy-3,3-dimethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one.
What is the SMILES notation for 10-methoxy-3,3-dimethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one?
The canonical SMILES for 10-methoxy-3,3-dimethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one is COC1=CC2(C=CC1=O)OCC(C)(C)CO2.
What is the InChIKey of 10-methoxy-3,3-dimethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one?
The InChIKey is UMNAZIJBBLUBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-11(2)7-15-12(16-8-11)5-4-9(13)10(6-12)14-3/h4-6H,7-8H2,1-3H3.
What are the key properties of 10-methoxy-3,3-dimethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one?
10-methoxy-3,3-dimethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one has a molecular weight of 224.26 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-3,3-dimethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one is sourced from PubChem (CID 134937634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).