2-hydroxy-2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one

C14H24O3 — CID 103446684

IUPAC2-hydroxy-2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one
SMILESCCC(C)(O)C(=O)C1CCOC2(CCCC2)C1
InChIInChI=1S/C14H24O3/c1-3-13(2,16)12(15)11-6-9-17-14(10-11)7-4-5-8-14/h11,16H,3-10H2,1-2H3
InChIKeyOUXHWXOGOVMMCN-UHFFFAOYSA-N
MW240.34 g/mol
LogP2.46
Rot. Bonds3

About 2-hydroxy-2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one

2-hydroxy-2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one (PubChem CID 103446684) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one.

Molecular Properties

Compound Name2-hydroxy-2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one
PubChem CID103446684
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name2-hydroxy-2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one
SMILESCCC(C)(O)C(=O)C1CCOC2(CCCC2)C1
InChIInChI=1S/C14H24O3/c1-3-13(2,16)12(15)11-6-9-17-14(10-11)7-4-5-8-14/h11,16H,3-10H2,1-2H3
InChIKeyOUXHWXOGOVMMCN-UHFFFAOYSA-N
XLogP2.46
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
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-amino-2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one
CID 116560117
3-amino-2,2-dimethyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one
CID 116599992
2-ethoxy-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one
CID 116746985
2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)-2-piperidin-1-ylpropan-1-one
CID 79921640
2-(aminomethyl)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methylbutan-1-one
CID 116610863
1-oxaspiro[5.5]undecane-4-carboxylic acid
CID 79904011
1-(6-oxaspiro[4.5]decan-9-yl)heptan-1-one
CID 115787777
2,2-dimethyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-one
CID 79913238
(1-ethoxycyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 116747845
cyclopentyl(6-oxaspiro[4.5]decan-9-yl)methanone
CID 79913745
2-hydroxy-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one
CID 103451398

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one?
The IUPAC name of 2-hydroxy-2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one (CID 103446684) is 2-hydroxy-2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one.
What is the SMILES notation for 2-hydroxy-2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one?
The canonical SMILES for 2-hydroxy-2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one is CCC(C)(O)C(=O)C1CCOC2(CCCC2)C1.
What is the InChIKey of 2-hydroxy-2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one?
The InChIKey is OUXHWXOGOVMMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O3/c1-3-13(2,16)12(15)11-6-9-17-14(10-11)7-4-5-8-14/h11,16H,3-10H2,1-2H3.
What are the key properties of 2-hydroxy-2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one?
2-hydroxy-2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one has a molecular weight of 240.34 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one is sourced from PubChem (CID 103446684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).