2-ethoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one

C15H26O3 — CID 116746985

IUPAC2-ethoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one
SMILESCCOC(C)(CC)C(=O)C1CCOC2(CCC2)C1
InChIInChI=1S/C15H26O3/c1-4-14(3,17-5-2)13(16)12-7-10-18-15(11-12)8-6-9-15/h12H,4-11H2,1-3H3
InChIKeyGCHAJJUGRGOOSG-UHFFFAOYSA-N
MW254.37 g/mol
LogP3.11
Rot. Bonds5

About 2-ethoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one

2-ethoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one (PubChem CID 116746985) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-ethoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one.

Molecular Properties

Compound Name2-ethoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one
PubChem CID116746985
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name2-ethoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one
SMILESCCOC(C)(CC)C(=O)C1CCOC2(CCC2)C1
InChIInChI=1S/C15H26O3/c1-4-14(3,17-5-2)13(16)12-7-10-18-15(11-12)8-6-9-15/h12H,4-11H2,1-3H3
InChIKeyGCHAJJUGRGOOSG-UHFFFAOYSA-N
XLogP3.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one
CID 116746779
2-hydroxy-2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one
CID 103446684
3-amino-2,2-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one
CID 116599992
2-amino-2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one
CID 116560117
2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-piperidin-1-ylpropan-1-one
CID 79921640
(1-ethoxycyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 116747845
(1-ethoxycyclopentyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 116747768
(1-ethoxycyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 116748384
2-(aminomethyl)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methylbutan-1-one
CID 116610863
2-ethoxy-2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-ol
CID 116752624
2-(4-fluorophenyl)-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-one
CID 79909150
3,3-dimethyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-2-one
CID 79894030

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one?
The IUPAC name of 2-ethoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one (CID 116746985) is 2-ethoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one.
What is the SMILES notation for 2-ethoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one?
The canonical SMILES for 2-ethoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one is CCOC(C)(CC)C(=O)C1CCOC2(CCC2)C1.
What is the InChIKey of 2-ethoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one?
The InChIKey is GCHAJJUGRGOOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3/c1-4-14(3,17-5-2)13(16)12-7-10-18-15(11-12)8-6-9-15/h12H,4-11H2,1-3H3.
What are the key properties of 2-ethoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one?
2-ethoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one has a molecular weight of 254.37 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one is sourced from PubChem (CID 116746985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).