8-methyl-1,4-dioxaspiro[4.4]nonan-9-one

C8H12O3 — CID 11062628

IUPAC8-methyl-1,4-dioxaspiro[4.4]nonan-9-one
SMILESCC1CCC2(OCCO2)C1=O
InChIInChI=1S/C8H12O3/c1-6-2-3-8(7(6)9)10-4-5-11-8/h6H,2-5H2,1H3
InChIKeyNDIKANCSXLZTNB-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.73
Rot. Bonds

About 8-methyl-1,4-dioxaspiro[4.4]nonan-9-one

8-methyl-1,4-dioxaspiro[4.4]nonan-9-one (PubChem CID 11062628) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 8-methyl-1,4-dioxaspiro[4.4]nonan-9-one.

Molecular Properties

Compound Name8-methyl-1,4-dioxaspiro[4.4]nonan-9-one
PubChem CID11062628
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name8-methyl-1,4-dioxaspiro[4.4]nonan-9-one
SMILESCC1CCC2(OCCO2)C1=O
InChIInChI=1S/C8H12O3/c1-6-2-3-8(7(6)9)10-4-5-11-8/h6H,2-5H2,1H3
InChIKeyNDIKANCSXLZTNB-UHFFFAOYSA-N
XLogP0.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1,4-dioxaspiro[4.4]nonan-9-one?
The IUPAC name of 8-methyl-1,4-dioxaspiro[4.4]nonan-9-one (CID 11062628) is 8-methyl-1,4-dioxaspiro[4.4]nonan-9-one.
What is the SMILES notation for 8-methyl-1,4-dioxaspiro[4.4]nonan-9-one?
The canonical SMILES for 8-methyl-1,4-dioxaspiro[4.4]nonan-9-one is CC1CCC2(OCCO2)C1=O.
What is the InChIKey of 8-methyl-1,4-dioxaspiro[4.4]nonan-9-one?
The InChIKey is NDIKANCSXLZTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-6-2-3-8(7(6)9)10-4-5-11-8/h6H,2-5H2,1H3.
What are the key properties of 8-methyl-1,4-dioxaspiro[4.4]nonan-9-one?
8-methyl-1,4-dioxaspiro[4.4]nonan-9-one has a molecular weight of 156.18 g/mol, XLogP of 0.73, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1,4-dioxaspiro[4.4]nonan-9-one is sourced from PubChem (CID 11062628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).