2-(2-methoxy-7-oxaspiro[3.5]nonan-2-yl)acetic acid

C11H18O4 — CID 155859036

IUPAC2-(2-methoxy-7-oxaspiro[3.5]nonan-2-yl)acetic acid
SMILESCOC1(CC(=O)O)CC2(CCOCC2)C1
InChIInChI=1S/C11H18O4/c1-14-11(6-9(12)13)7-10(8-11)2-4-15-5-3-10/h2-8H2,1H3,(H,12,13)
InChIKeyAAGZNXNXICWXLD-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.44
Rot. Bonds3

About 2-(2-methoxy-7-oxaspiro[3.5]nonan-2-yl)acetic acid

2-(2-methoxy-7-oxaspiro[3.5]nonan-2-yl)acetic acid (PubChem CID 155859036) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-(2-methoxy-7-oxaspiro[3.5]nonan-2-yl)acetic acid.

Molecular Properties

Compound Name2-(2-methoxy-7-oxaspiro[3.5]nonan-2-yl)acetic acid
PubChem CID155859036
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name2-(2-methoxy-7-oxaspiro[3.5]nonan-2-yl)acetic acid
SMILESCOC1(CC(=O)O)CC2(CCOCC2)C1
InChIInChI=1S/C11H18O4/c1-14-11(6-9(12)13)7-10(8-11)2-4-15-5-3-10/h2-8H2,1H3,(H,12,13)
InChIKeyAAGZNXNXICWXLD-UHFFFAOYSA-N
XLogP1.44
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-7-oxaspiro[3.5]nonan-2-yl)acetic acid?
The IUPAC name of 2-(2-methoxy-7-oxaspiro[3.5]nonan-2-yl)acetic acid (CID 155859036) is 2-(2-methoxy-7-oxaspiro[3.5]nonan-2-yl)acetic acid.
What is the SMILES notation for 2-(2-methoxy-7-oxaspiro[3.5]nonan-2-yl)acetic acid?
The canonical SMILES for 2-(2-methoxy-7-oxaspiro[3.5]nonan-2-yl)acetic acid is COC1(CC(=O)O)CC2(CCOCC2)C1.
What is the InChIKey of 2-(2-methoxy-7-oxaspiro[3.5]nonan-2-yl)acetic acid?
The InChIKey is AAGZNXNXICWXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-14-11(6-9(12)13)7-10(8-11)2-4-15-5-3-10/h2-8H2,1H3,(H,12,13).
What are the key properties of 2-(2-methoxy-7-oxaspiro[3.5]nonan-2-yl)acetic acid?
2-(2-methoxy-7-oxaspiro[3.5]nonan-2-yl)acetic acid has a molecular weight of 214.26 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-7-oxaspiro[3.5]nonan-2-yl)acetic acid is sourced from PubChem (CID 155859036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).