2-(1-oxaspiro[4.5]decan-2-ylmethoxy)acetic acid

C12H20O4 — CID 102896245

IUPAC2-(1-oxaspiro[4.5]decan-2-ylmethoxy)acetic acid
SMILESO=C(O)COCC1CCC2(CCCCC2)O1
InChIInChI=1S/C12H20O4/c13-11(14)9-15-8-10-4-7-12(16-10)5-2-1-3-6-12/h10H,1-9H2,(H,13,14)
InChIKeyOPKRZHFHYNTLMC-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.97
Rot. Bonds4

About 2-(1-oxaspiro[4.5]decan-2-ylmethoxy)acetic acid

2-(1-oxaspiro[4.5]decan-2-ylmethoxy)acetic acid (PubChem CID 102896245) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(1-oxaspiro[4.5]decan-2-ylmethoxy)acetic acid.

Molecular Properties

Compound Name2-(1-oxaspiro[4.5]decan-2-ylmethoxy)acetic acid
PubChem CID102896245
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name2-(1-oxaspiro[4.5]decan-2-ylmethoxy)acetic acid
SMILESO=C(O)COCC1CCC2(CCCCC2)O1
InChIInChI=1S/C12H20O4/c13-11(14)9-15-8-10-4-7-12(16-10)5-2-1-3-6-12/h10H,1-9H2,(H,13,14)
InChIKeyOPKRZHFHYNTLMC-UHFFFAOYSA-N
XLogP1.97
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-oxaspiro[4.5]decan-2-ylmethoxy)propan-1-amine
CID 102898863
(2S)-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)propanoic acid
CID 102896242
2-(1-oxaspiro[4.5]decan-2-ylmethylamino)oxyacetamide
CID 102897726
3-(1-oxaspiro[4.4]nonan-2-ylmethylsulfinyl)propanoic acid
CID 102899699
2-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzoic acid
CID 102896209
5-(1-oxaspiro[4.5]decan-2-ylmethoxy)piperidine-3-carboxylic acid
CID 102898597
(2R)-2-amino-3-(1-oxaspiro[4.5]decan-2-yl)propanoic acid
CID 106702778
4-(1-oxaspiro[4.4]nonan-2-ylmethoxymethyl)piperidine
CID 102898844
[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclooctyl]methanamine
CID 102901881
[1-(1-oxaspiro[4.4]nonan-2-ylmethyl)cyclohexyl]methanamine
CID 102900287
2-[butan-2-yl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]acetic acid
CID 102899153
[2-(1-oxaspiro[4.4]nonan-2-ylmethoxymethyl)cyclopentyl]methanamine
CID 102898886

Frequently Asked Questions

What is the IUPAC name of 2-(1-oxaspiro[4.5]decan-2-ylmethoxy)acetic acid?
The IUPAC name of 2-(1-oxaspiro[4.5]decan-2-ylmethoxy)acetic acid (CID 102896245) is 2-(1-oxaspiro[4.5]decan-2-ylmethoxy)acetic acid.
What is the SMILES notation for 2-(1-oxaspiro[4.5]decan-2-ylmethoxy)acetic acid?
The canonical SMILES for 2-(1-oxaspiro[4.5]decan-2-ylmethoxy)acetic acid is O=C(O)COCC1CCC2(CCCCC2)O1.
What is the InChIKey of 2-(1-oxaspiro[4.5]decan-2-ylmethoxy)acetic acid?
The InChIKey is OPKRZHFHYNTLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4/c13-11(14)9-15-8-10-4-7-12(16-10)5-2-1-3-6-12/h10H,1-9H2,(H,13,14).
What are the key properties of 2-(1-oxaspiro[4.5]decan-2-ylmethoxy)acetic acid?
2-(1-oxaspiro[4.5]decan-2-ylmethoxy)acetic acid has a molecular weight of 228.29 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxaspiro[4.5]decan-2-ylmethoxy)acetic acid is sourced from PubChem (CID 102896245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).