1-(8-hydroxy-1,4-dioxaspiro[4.5]dec-7-en-7-yl)ethanone

C10H14O4 — CID 90370115

IUPAC1-(8-hydroxy-1,4-dioxaspiro[4.5]dec-7-en-7-yl)ethanone
SMILESCC(=O)C1=C(O)CCC2(C1)OCCO2
InChIInChI=1S/C10H14O4/c1-7(11)8-6-10(3-2-9(8)12)13-4-5-14-10/h12H,2-6H2,1H3
InChIKeyALXBWZYRKKUABR-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.31
Rot. Bonds1

About 1-(8-hydroxy-1,4-dioxaspiro[4.5]dec-7-en-7-yl)ethanone

1-(8-hydroxy-1,4-dioxaspiro[4.5]dec-7-en-7-yl)ethanone (PubChem CID 90370115) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 1-(8-hydroxy-1,4-dioxaspiro[4.5]dec-7-en-7-yl)ethanone.

Molecular Properties

Compound Name1-(8-hydroxy-1,4-dioxaspiro[4.5]dec-7-en-7-yl)ethanone
PubChem CID90370115
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name1-(8-hydroxy-1,4-dioxaspiro[4.5]dec-7-en-7-yl)ethanone
SMILESCC(=O)C1=C(O)CCC2(C1)OCCO2
InChIInChI=1S/C10H14O4/c1-7(11)8-6-10(3-2-9(8)12)13-4-5-14-10/h12H,2-6H2,1H3
InChIKeyALXBWZYRKKUABR-UHFFFAOYSA-N
XLogP1.31
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(8-hydroxy-1,4-dioxaspiro[4.5]dec-7-en-7-yl)ethanone?
The IUPAC name of 1-(8-hydroxy-1,4-dioxaspiro[4.5]dec-7-en-7-yl)ethanone (CID 90370115) is 1-(8-hydroxy-1,4-dioxaspiro[4.5]dec-7-en-7-yl)ethanone.
What is the SMILES notation for 1-(8-hydroxy-1,4-dioxaspiro[4.5]dec-7-en-7-yl)ethanone?
The canonical SMILES for 1-(8-hydroxy-1,4-dioxaspiro[4.5]dec-7-en-7-yl)ethanone is CC(=O)C1=C(O)CCC2(C1)OCCO2.
What is the InChIKey of 1-(8-hydroxy-1,4-dioxaspiro[4.5]dec-7-en-7-yl)ethanone?
The InChIKey is ALXBWZYRKKUABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-7(11)8-6-10(3-2-9(8)12)13-4-5-14-10/h12H,2-6H2,1H3.
What are the key properties of 1-(8-hydroxy-1,4-dioxaspiro[4.5]dec-7-en-7-yl)ethanone?
1-(8-hydroxy-1,4-dioxaspiro[4.5]dec-7-en-7-yl)ethanone has a molecular weight of 198.22 g/mol, XLogP of 1.31, 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]dec-7-en-7-yl)ethanone is sourced from PubChem (CID 90370115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).