4-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one

C14H24O3 — CID 105115694

IUPAC4-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one
SMILESCOCC(C)CC(=O)C1CCOC2(CCC2)C1
InChIInChI=1S/C14H24O3/c1-11(10-16-2)8-13(15)12-4-7-17-14(9-12)5-3-6-14/h11-12H,3-10H2,1-2H3
InChIKeyQSHPIRADQFKZGL-UHFFFAOYSA-N
MW240.34 g/mol
LogP2.58
Rot. Bonds5

About 4-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one

4-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one (PubChem CID 105115694) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 4-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one.

Molecular Properties

Compound Name4-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one
PubChem CID105115694
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name4-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one
SMILESCOCC(C)CC(=O)C1CCOC2(CCC2)C1
InChIInChI=1S/C14H24O3/c1-11(10-16-2)8-13(15)12-4-7-17-14(9-12)5-3-6-14/h11-12H,3-10H2,1-2H3
InChIKeyQSHPIRADQFKZGL-UHFFFAOYSA-N
XLogP2.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one
CID 116555810
2-(2-methoxyethoxy)-1-(6-oxaspiro[4.5]decan-9-yl)ethanone
CID 114032509
4-methoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one
CID 79922076
3-amino-4,4-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)pentan-1-one
CID 116608371
4-methoxy-3-methyl-1-(oxan-3-yl)butan-1-one
CID 107138525
2-methylsulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
CID 79921956
2-butan-2-ylsulfanyl-1-(5-oxaspiro[3.5]nonan-8-yl)ethanone
CID 79921443
3-methoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-ol
CID 116502606
3-amino-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-one
CID 116564393
4-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-amine
CID 105166209
4-ethoxy-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one
CID 105119058
(3,3-difluorocyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 114215606

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one?
The IUPAC name of 4-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one (CID 105115694) is 4-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one.
What is the SMILES notation for 4-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one?
The canonical SMILES for 4-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one is COCC(C)CC(=O)C1CCOC2(CCC2)C1.
What is the InChIKey of 4-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one?
The InChIKey is QSHPIRADQFKZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-11(10-16-2)8-13(15)12-4-7-17-14(9-12)5-3-6-14/h11-12H,3-10H2,1-2H3.
What are the key properties of 4-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one?
4-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one has a molecular weight of 240.34 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one is sourced from PubChem (CID 105115694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).