2-(1-oxo-2,8-dioxaspiro[4.5]decan-3-yl)acetic acid

C10H14O5 — CID 170414149

IUPAC2-(1-oxo-2,8-dioxaspiro[4.5]decan-3-yl)acetic acid
SMILESO=C(O)CC1CC2(CCOCC2)C(=O)O1
InChIInChI=1S/C10H14O5/c11-8(12)5-7-6-10(9(13)15-7)1-3-14-4-2-10/h7H,1-6H2,(H,11,12)
InChIKeyFBMLXIFIJJPGMO-UHFFFAOYSA-N
MW214.22 g/mol
LogP0.57
Rot. Bonds2

About 2-(1-oxo-2,8-dioxaspiro[4.5]decan-3-yl)acetic acid

2-(1-oxo-2,8-dioxaspiro[4.5]decan-3-yl)acetic acid (PubChem CID 170414149) has the molecular formula C10H14O5 and a molecular weight of 214.22 g/mol. Its IUPAC name is 2-(1-oxo-2,8-dioxaspiro[4.5]decan-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-oxo-2,8-dioxaspiro[4.5]decan-3-yl)acetic acid
PubChem CID170414149
Molecular FormulaC10H14O5
Molecular Weight214.22 g/mol
Exact Mass214.08
IUPAC Name2-(1-oxo-2,8-dioxaspiro[4.5]decan-3-yl)acetic acid
SMILESO=C(O)CC1CC2(CCOCC2)C(=O)O1
InChIInChI=1S/C10H14O5/c11-8(12)5-7-6-10(9(13)15-7)1-3-14-4-2-10/h7H,1-6H2,(H,11,12)
InChIKeyFBMLXIFIJJPGMO-UHFFFAOYSA-N
XLogP0.57
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 ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-oxo-2,8-dioxaspiro[4.5]decan-3-yl)acetic acid?
The IUPAC name of 2-(1-oxo-2,8-dioxaspiro[4.5]decan-3-yl)acetic acid (CID 170414149) is 2-(1-oxo-2,8-dioxaspiro[4.5]decan-3-yl)acetic acid.
What is the SMILES notation for 2-(1-oxo-2,8-dioxaspiro[4.5]decan-3-yl)acetic acid?
The canonical SMILES for 2-(1-oxo-2,8-dioxaspiro[4.5]decan-3-yl)acetic acid is O=C(O)CC1CC2(CCOCC2)C(=O)O1.
What is the InChIKey of 2-(1-oxo-2,8-dioxaspiro[4.5]decan-3-yl)acetic acid?
The InChIKey is FBMLXIFIJJPGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O5/c11-8(12)5-7-6-10(9(13)15-7)1-3-14-4-2-10/h7H,1-6H2,(H,11,12).
What are the key properties of 2-(1-oxo-2,8-dioxaspiro[4.5]decan-3-yl)acetic acid?
2-(1-oxo-2,8-dioxaspiro[4.5]decan-3-yl)acetic acid has a molecular weight of 214.22 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxo-2,8-dioxaspiro[4.5]decan-3-yl)acetic acid is sourced from PubChem (CID 170414149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).