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

C12H20O3 — CID 103451398

IUPAC2-hydroxy-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one
SMILESCC(O)C(=O)C1CCOC2(CCCC2)C1
InChIInChI=1S/C12H20O3/c1-9(13)11(14)10-4-7-15-12(8-10)5-2-3-6-12/h9-10,13H,2-8H2,1H3
InChIKeyLEDUWMJZCSXOMZ-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.68
Rot. Bonds2

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

2-hydroxy-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one (PubChem CID 103451398) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-hydroxy-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one
PubChem CID103451398
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name2-hydroxy-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one
SMILESCC(O)C(=O)C1CCOC2(CCCC2)C1
InChIInChI=1S/C12H20O3/c1-9(13)11(14)10-4-7-15-12(8-10)5-2-3-6-12/h9-10,13H,2-8H2,1H3
InChIKeyLEDUWMJZCSXOMZ-UHFFFAOYSA-N
XLogP1.68
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one
CID 116551698
2-amino-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one
CID 116551697
2-cyclopropyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one
CID 115787764
3-amino-2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one
CID 116564442
2-(aminomethyl)-3-methyl-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-one
CID 116573884
3-amino-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)propan-1-one
CID 116564393
4-amino-2-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)butan-1-one
CID 116594794
2-(aminomethyl)-4-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-one
CID 116597880
1-oxaspiro[5.5]undecane-4-carboxylic acid
CID 79904011
2-hydroxy-3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-one
CID 103455117
2-amino-1-(6-oxaspiro[4.5]decan-9-yl)pent-4-yn-1-one
CID 116606560
cyclopentyl(6-oxaspiro[4.5]decan-9-yl)methanone
CID 79913745

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one?
The IUPAC name of 2-hydroxy-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one (CID 103451398) is 2-hydroxy-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one.
What is the SMILES notation for 2-hydroxy-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one?
The canonical SMILES for 2-hydroxy-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one is CC(O)C(=O)C1CCOC2(CCCC2)C1.
What is the InChIKey of 2-hydroxy-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one?
The InChIKey is LEDUWMJZCSXOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-9(13)11(14)10-4-7-15-12(8-10)5-2-3-6-12/h9-10,13H,2-8H2,1H3.
What are the key properties of 2-hydroxy-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one?
2-hydroxy-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one has a molecular weight of 212.29 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one is sourced from PubChem (CID 103451398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).