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

C12H16O3 — CID 11160081

IUPAC3,3,10-trimethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one
SMILESCC1=CC2(C=CC1=O)OCC(C)(C)CO2
InChIInChI=1S/C12H16O3/c1-9-6-12(5-4-10(9)13)14-7-11(2,3)8-15-12/h4-6H,7-8H2,1-3H3
InChIKeyJPCODCSOXHBDSD-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.84
Rot. Bonds

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

3,3,10-trimethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one (PubChem CID 11160081) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3,3,10-trimethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one.

Molecular Properties

Compound Name3,3,10-trimethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one
PubChem CID11160081
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name3,3,10-trimethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one
SMILESCC1=CC2(C=CC1=O)OCC(C)(C)CO2
InChIInChI=1S/C12H16O3/c1-9-6-12(5-4-10(9)13)14-7-11(2,3)8-15-12/h4-6H,7-8H2,1-3H3
InChIKeyJPCODCSOXHBDSD-UHFFFAOYSA-N
XLogP1.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,10-trimethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one?
The IUPAC name of 3,3,10-trimethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one (CID 11160081) is 3,3,10-trimethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one.
What is the SMILES notation for 3,3,10-trimethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one?
The canonical SMILES for 3,3,10-trimethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one is CC1=CC2(C=CC1=O)OCC(C)(C)CO2.
What is the InChIKey of 3,3,10-trimethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one?
The InChIKey is JPCODCSOXHBDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-9-6-12(5-4-10(9)13)14-7-11(2,3)8-15-12/h4-6H,7-8H2,1-3H3.
What are the key properties of 3,3,10-trimethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one?
3,3,10-trimethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one has a molecular weight of 208.26 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,10-trimethyl-1,5-dioxaspiro[5.5]undeca-7,10-dien-9-one is sourced from PubChem (CID 11160081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).