9-methyl-1-oxaspiro[4.4]nonan-8-one

C9H14O2 — CID 14028106

IUPAC9-methyl-1-oxaspiro[4.4]nonan-8-one
SMILESCC1C(=O)CCC12CCCO2
InChIInChI=1S/C9H14O2/c1-7-8(10)3-5-9(7)4-2-6-11-9/h7H,2-6H2,1H3
InChIKeyLFUVEIBILYLYBK-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.53
Rot. Bonds

About 9-methyl-1-oxaspiro[4.4]nonan-8-one

9-methyl-1-oxaspiro[4.4]nonan-8-one (PubChem CID 14028106) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 9-methyl-1-oxaspiro[4.4]nonan-8-one.

Molecular Properties

Compound Name9-methyl-1-oxaspiro[4.4]nonan-8-one
PubChem CID14028106
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name9-methyl-1-oxaspiro[4.4]nonan-8-one
SMILESCC1C(=O)CCC12CCCO2
InChIInChI=1S/C9H14O2/c1-7-8(10)3-5-9(7)4-2-6-11-9/h7H,2-6H2,1H3
InChIKeyLFUVEIBILYLYBK-UHFFFAOYSA-N
XLogP1.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methyl-6-oxaspiro[4.5]decan-3-one
CID 14028107
1-[(2R,3R,3aS,6aS)-2-ethyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]furan-3-yl]pentan-1-one
CID 12061548
3-(6,6,6a-trimethyl-3,3a,4,5-tetrahydro-2H-cyclopenta[b]furan-2-yl)-3-methylbutan-2-one
CID 2755506
1-(3,5-Dimethyl-5-propan-2-yloxolan-2-yl)propan-2-one
CID 20191547
1-(6a-methyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-yl)-4,4-dimethyloctan-1-one
CID 57297231
(4R,5R)-4-methyl-5-[(1S)-2-methyl-5-oxocyclopentyl]oxolan-2-one
CID 57638696
(4R)-4-methyl-5-[(1S)-2-methyl-5-oxocyclopentyl]oxolan-2-one
CID 58013695
(2S)-3-methyl-2-[(2R,3R)-3-methyloxolan-2-yl]cyclopentan-1-one
CID 59090541
(1R,3S,4S,7R)-1-ethyl-3,7-dimethyl-2-oxabicyclo[2.2.1]heptan-5-one
CID 59638536
(9R)-9-methyl-1-oxaspiro[4.4]nonan-2-one
CID 59643824
(3aS,6aS)-2,2-dimethyl-3a,5,6,6a-tetrahydro-3H-cyclopenta[b]furan-4-one
CID 89392945
11-Ethyl-15-oxatricyclo[10.2.1.01,5]pentadecan-10-one
CID 138525449

Frequently Asked Questions

What is the IUPAC name of 9-methyl-1-oxaspiro[4.4]nonan-8-one?
The IUPAC name of 9-methyl-1-oxaspiro[4.4]nonan-8-one (CID 14028106) is 9-methyl-1-oxaspiro[4.4]nonan-8-one.
What is the SMILES notation for 9-methyl-1-oxaspiro[4.4]nonan-8-one?
The canonical SMILES for 9-methyl-1-oxaspiro[4.4]nonan-8-one is CC1C(=O)CCC12CCCO2.
What is the InChIKey of 9-methyl-1-oxaspiro[4.4]nonan-8-one?
The InChIKey is LFUVEIBILYLYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-7-8(10)3-5-9(7)4-2-6-11-9/h7H,2-6H2,1H3.
What are the key properties of 9-methyl-1-oxaspiro[4.4]nonan-8-one?
9-methyl-1-oxaspiro[4.4]nonan-8-one has a molecular weight of 154.21 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1-oxaspiro[4.4]nonan-8-one is sourced from PubChem (CID 14028106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).