(2R,5R)-2-(2-hydroxyethyl)-1,10-dioxaspiro[4.5]decan-4-one

C10H16O4 — CID 102062050

IUPAC(2R,5R)-2-(2-hydroxyethyl)-1,10-dioxaspiro[4.5]decan-4-one
SMILESO=C1C[C@@H](CCO)O[C@]12CCCCO2
InChIInChI=1S/C10H16O4/c11-5-3-8-7-9(12)10(14-8)4-1-2-6-13-10/h8,11H,1-7H2/t8-,10-/m1/s1
InChIKeyNPTDGRKUWSDIIV-PSASIEDQSA-N
MW200.23 g/mol
LogP0.62
Rot. Bonds2

About (2R,5R)-2-(2-hydroxyethyl)-1,10-dioxaspiro[4.5]decan-4-one

(2R,5R)-2-(2-hydroxyethyl)-1,10-dioxaspiro[4.5]decan-4-one (PubChem CID 102062050) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is (2R,5R)-2-(2-hydroxyethyl)-1,10-dioxaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name(2R,5R)-2-(2-hydroxyethyl)-1,10-dioxaspiro[4.5]decan-4-one
PubChem CID102062050
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name(2R,5R)-2-(2-hydroxyethyl)-1,10-dioxaspiro[4.5]decan-4-one
SMILESO=C1C[C@@H](CCO)O[C@]12CCCCO2
InChIInChI=1S/C10H16O4/c11-5-3-8-7-9(12)10(14-8)4-1-2-6-13-10/h8,11H,1-7H2/t8-,10-/m1/s1
InChIKeyNPTDGRKUWSDIIV-PSASIEDQSA-N
XLogP0.62
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-(2-hydroxyethyl)-1,10-dioxaspiro[4.5]decan-4-one?
The IUPAC name of (2R,5R)-2-(2-hydroxyethyl)-1,10-dioxaspiro[4.5]decan-4-one (CID 102062050) is (2R,5R)-2-(2-hydroxyethyl)-1,10-dioxaspiro[4.5]decan-4-one.
What is the SMILES notation for (2R,5R)-2-(2-hydroxyethyl)-1,10-dioxaspiro[4.5]decan-4-one?
The canonical SMILES for (2R,5R)-2-(2-hydroxyethyl)-1,10-dioxaspiro[4.5]decan-4-one is O=C1C[C@@H](CCO)O[C@]12CCCCO2.
What is the InChIKey of (2R,5R)-2-(2-hydroxyethyl)-1,10-dioxaspiro[4.5]decan-4-one?
The InChIKey is NPTDGRKUWSDIIV-PSASIEDQSA-N. The full InChI is InChI=1S/C10H16O4/c11-5-3-8-7-9(12)10(14-8)4-1-2-6-13-10/h8,11H,1-7H2/t8-,10-/m1/s1.
What are the key properties of (2R,5R)-2-(2-hydroxyethyl)-1,10-dioxaspiro[4.5]decan-4-one?
(2R,5R)-2-(2-hydroxyethyl)-1,10-dioxaspiro[4.5]decan-4-one has a molecular weight of 200.23 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-(2-hydroxyethyl)-1,10-dioxaspiro[4.5]decan-4-one is sourced from PubChem (CID 102062050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).