2-[(2S)-3-oxo-1,4-dioxaspiro[4.5]decan-2-yl]acetic acid

C10H14O5 — CID 10262666

IUPAC2-[(2S)-3-oxo-1,4-dioxaspiro[4.5]decan-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1OC2(CCCCC2)OC1=O
InChIInChI=1S/C10H14O5/c11-8(12)6-7-9(13)15-10(14-7)4-2-1-3-5-10/h7H,1-6H2,(H,11,12)/t7-/m0/s1
InChIKeyGZPFASHFOHXEAY-ZETCQYMHSA-N
MW214.22 g/mol
LogP1.06
Rot. Bonds2

About 2-[(2S)-3-oxo-1,4-dioxaspiro[4.5]decan-2-yl]acetic acid

2-[(2S)-3-oxo-1,4-dioxaspiro[4.5]decan-2-yl]acetic acid (PubChem CID 10262666) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-[(2S)-3-oxo-1,4-dioxaspiro[4.5]decan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-3-oxo-1,4-dioxaspiro[4.5]decan-2-yl]acetic acid
PubChem CID10262666
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name2-[(2S)-3-oxo-1,4-dioxaspiro[4.5]decan-2-yl]acetic acid
SMILESO=C(O)C[C@@H]1OC2(CCCCC2)OC1=O
InChIInChI=1S/C10H14O5/c11-8(12)6-7-9(13)15-10(14-7)4-2-1-3-5-10/h7H,1-6H2,(H,11,12)/t7-/m0/s1
InChIKeyGZPFASHFOHXEAY-ZETCQYMHSA-N
XLogP1.06
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-3-oxo-1,4-dioxaspiro[4.5]decan-2-yl]acetic acid?
The IUPAC name of 2-[(2S)-3-oxo-1,4-dioxaspiro[4.5]decan-2-yl]acetic acid (CID 10262666) is 2-[(2S)-3-oxo-1,4-dioxaspiro[4.5]decan-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-3-oxo-1,4-dioxaspiro[4.5]decan-2-yl]acetic acid?
The canonical SMILES for 2-[(2S)-3-oxo-1,4-dioxaspiro[4.5]decan-2-yl]acetic acid is O=C(O)C[C@@H]1OC2(CCCCC2)OC1=O.
What is the InChIKey of 2-[(2S)-3-oxo-1,4-dioxaspiro[4.5]decan-2-yl]acetic acid?
The InChIKey is GZPFASHFOHXEAY-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14O5/c11-8(12)6-7-9(13)15-10(14-7)4-2-1-3-5-10/h7H,1-6H2,(H,11,12)/t7-/m0/s1.
What are the key properties of 2-[(2S)-3-oxo-1,4-dioxaspiro[4.5]decan-2-yl]acetic acid?
2-[(2S)-3-oxo-1,4-dioxaspiro[4.5]decan-2-yl]acetic acid has a molecular weight of 214.22 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-3-oxo-1,4-dioxaspiro[4.5]decan-2-yl]acetic acid is sourced from PubChem (CID 10262666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).