1-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethanone

C10H16O4 — CID 151473274

IUPAC1-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethanone
SMILESCC(=O)C1(O)CCC2(CC1)OCCO2
InChIInChI=1S/C10H16O4/c1-8(11)9(12)2-4-10(5-3-9)13-6-7-14-10/h12H,2-7H2,1H3
InChIKeyPKXULVMRMJUCFL-UHFFFAOYSA-N
MW200.23 g/mol
LogP0.62
Rot. Bonds1

About 1-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethanone

1-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethanone (PubChem CID 151473274) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 1-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethanone.

Molecular Properties

Compound Name1-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethanone
PubChem CID151473274
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name1-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethanone
SMILESCC(=O)C1(O)CCC2(CC1)OCCO2
InChIInChI=1S/C10H16O4/c1-8(11)9(12)2-4-10(5-3-9)13-6-7-14-10/h12H,2-7H2,1H3
InChIKeyPKXULVMRMJUCFL-UHFFFAOYSA-N
XLogP0.62
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;8-methyl-1,4-dioxaspiro[4.5]decan-8-ol
CID 143931263
2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)acetic acid
CID 66037412
2-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)-3-methylbutanoic acid
CID 66039558
8-amino-1,4-dioxaspiro[4.5]decane-8-carboxylic acid;hydrochloride
CID 155675545
1-(4-hydroxy-1,1-dimethylpiperidin-1-ium-4-yl)ethanone
CID 166474322
1-(1-hydroxy-4-methylcyclohexyl)ethanone
CID 54078464
1-(1-acetyl-4-hydroxypiperidin-4-yl)ethanone
CID 15117211
ethane;8-prop-1-ynyl-1,4-dioxaspiro[4.5]decan-8-ol
CID 143931271
8-(methylaminomethyl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 165465927
1,4-dioxaspiro[4.4]nonane;ethane
CID 144903922
(8-methyl-1,4-dioxaspiro[4.5]decan-8-yl)methanol
CID 12568263
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958396

Frequently Asked Questions

What is the IUPAC name of 1-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethanone?
The IUPAC name of 1-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethanone (CID 151473274) is 1-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethanone.
What is the SMILES notation for 1-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethanone?
The canonical SMILES for 1-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethanone is CC(=O)C1(O)CCC2(CC1)OCCO2.
What is the InChIKey of 1-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethanone?
The InChIKey is PKXULVMRMJUCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-8(11)9(12)2-4-10(5-3-9)13-6-7-14-10/h12H,2-7H2,1H3.
What are the key properties of 1-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethanone?
1-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethanone has a molecular weight of 200.23 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethanone is sourced from PubChem (CID 151473274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).