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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Related Compounds

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CID 12835446
3,6-dimethyl-7-oxo-2,3,3a,4,5,6-hexahydro-1-benzofuran-7a-carbaldehyde
CID 91425796
2-ethenyl-2,6-dimethylcyclohexan-1-one
CID 12870171
7-methyl-2,9-dioxaspiro[3.6]decane-1,3,8,10-tetrone
CID 91031833
3,6-dimethyl-6-propan-2-yloxan-2-one
CID 140976692
7'-methylspiro[1,3-dioxolane-2,1'-2,3,3a,5,6,7,8,8a-octahydroazulene]-4'-one
CID 559651
3-methyl-6-prop-1-en-2-yl-7-oxabicyclo[4.1.0]heptan-2-one
CID 14414155
8-(2-hydroxyethoxy)-1,4-dioxaspiro[4.5]decan-6-one
CID 173117554
(4'aR,5'R,8'aR)-5',8'a-dimethylspiro[1,3-dioxolane-2,6'-3,4,4a,5,7,8-hexahydro-2H-naphthalene]-1'-one
CID 135131074
2,6-dimethylcyclohexan-1-one;2,2,6-trimethylcyclohexan-1-one
CID 175586261
8-ethyl-6,6-dimethyl-1,4-dioxaspiro[4.5]decan-7-one
CID 135272614
3-methyl-6-oxaspiro[4.5]decan-9-one
CID 64514323

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).