3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one

C12H18O3 — CID 13209183

IUPAC3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one
SMILESCC1=CC2(CC(C)(C)C1=O)OCC(C)O2
InChIInChI=1S/C12H18O3/c1-8-5-12(14-6-9(2)15-12)7-11(3,4)10(8)13/h5,9H,6-7H2,1-4H3
InChIKeyBDGBIOUSCBIBBH-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.06
Rot. Bonds

About 3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one

3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one (PubChem CID 13209183) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one.

Molecular Properties

Compound Name3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one
PubChem CID13209183
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one
SMILESCC1=CC2(CC(C)(C)C1=O)OCC(C)O2
InChIInChI=1S/C12H18O3/c1-8-5-12(14-6-9(2)15-12)7-11(3,4)10(8)13/h5,9H,6-7H2,1-4H3
InChIKeyBDGBIOUSCBIBBH-UHFFFAOYSA-N
XLogP2.06
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one?
The IUPAC name of 3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one (CID 13209183) is 3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one.
What is the SMILES notation for 3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one?
The canonical SMILES for 3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one is CC1=CC2(CC(C)(C)C1=O)OCC(C)O2.
What is the InChIKey of 3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one?
The InChIKey is BDGBIOUSCBIBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-8-5-12(14-6-9(2)15-12)7-11(3,4)10(8)13/h5,9H,6-7H2,1-4H3.
What are the key properties of 3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one?
3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one has a molecular weight of 210.27 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,9,9-tetramethyl-1,4-dioxaspiro[4.5]dec-6-en-8-one is sourced from PubChem (CID 13209183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).