8-(2-hydroxyethoxy)-1,4-dioxaspiro[4.5]decan-6-one

C10H16O5 — CID 173117554

IUPAC8-(2-hydroxyethoxy)-1,4-dioxaspiro[4.5]decan-6-one
SMILESO=C1CC(OCCO)CCC12OCCO2
InChIInChI=1S/C10H16O5/c11-3-4-13-8-1-2-10(9(12)7-8)14-5-6-15-10/h8,11H,1-7H2
InChIKeyAUGIQYKZSFEGNT-UHFFFAOYSA-N
MW216.23 g/mol
LogP-0.14
Rot. Bonds3

About 8-(2-hydroxyethoxy)-1,4-dioxaspiro[4.5]decan-6-one

8-(2-hydroxyethoxy)-1,4-dioxaspiro[4.5]decan-6-one (PubChem CID 173117554) has the molecular formula C10H16O5 and a molecular weight of 216.23 g/mol. Its IUPAC name is 8-(2-hydroxyethoxy)-1,4-dioxaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name8-(2-hydroxyethoxy)-1,4-dioxaspiro[4.5]decan-6-one
PubChem CID173117554
Molecular FormulaC10H16O5
Molecular Weight216.23 g/mol
Exact Mass216.10
IUPAC Name8-(2-hydroxyethoxy)-1,4-dioxaspiro[4.5]decan-6-one
SMILESO=C1CC(OCCO)CCC12OCCO2
InChIInChI=1S/C10H16O5/c11-3-4-13-8-1-2-10(9(12)7-8)14-5-6-15-10/h8,11H,1-7H2
InChIKeyAUGIQYKZSFEGNT-UHFFFAOYSA-N
XLogP-0.14
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(2-hydroxyethoxy)-1,4-dioxaspiro[4.5]decan-6-one?
The IUPAC name of 8-(2-hydroxyethoxy)-1,4-dioxaspiro[4.5]decan-6-one (CID 173117554) is 8-(2-hydroxyethoxy)-1,4-dioxaspiro[4.5]decan-6-one.
What is the SMILES notation for 8-(2-hydroxyethoxy)-1,4-dioxaspiro[4.5]decan-6-one?
The canonical SMILES for 8-(2-hydroxyethoxy)-1,4-dioxaspiro[4.5]decan-6-one is O=C1CC(OCCO)CCC12OCCO2.
What is the InChIKey of 8-(2-hydroxyethoxy)-1,4-dioxaspiro[4.5]decan-6-one?
The InChIKey is AUGIQYKZSFEGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O5/c11-3-4-13-8-1-2-10(9(12)7-8)14-5-6-15-10/h8,11H,1-7H2.
What are the key properties of 8-(2-hydroxyethoxy)-1,4-dioxaspiro[4.5]decan-6-one?
8-(2-hydroxyethoxy)-1,4-dioxaspiro[4.5]decan-6-one has a molecular weight of 216.23 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-hydroxyethoxy)-1,4-dioxaspiro[4.5]decan-6-one is sourced from PubChem (CID 173117554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).