4-(6-oxaspiro[4.5]decan-9-yloxy)benzoic acid

C16H20O4 — CID 79904986

IUPAC4-(6-oxaspiro[4.5]decan-9-yloxy)benzoic acid
SMILESO=C(O)c1ccc(OC2CCOC3(CCCC3)C2)cc1
InChIInChI=1S/C16H20O4/c17-15(18)12-3-5-13(6-4-12)20-14-7-10-19-16(11-14)8-1-2-9-16/h3-6,14H,1-2,7-11H2,(H,17,18)
InChIKeyRCVYYXLTECYCFY-UHFFFAOYSA-N
MW276.33 g/mol
LogP3.26
Rot. Bonds3

About 4-(6-oxaspiro[4.5]decan-9-yloxy)benzoic acid

4-(6-oxaspiro[4.5]decan-9-yloxy)benzoic acid (PubChem CID 79904986) has the molecular formula C16H20O4 and a molecular weight of 276.33 g/mol. Its IUPAC name is 4-(6-oxaspiro[4.5]decan-9-yloxy)benzoic acid.

Molecular Properties

Compound Name4-(6-oxaspiro[4.5]decan-9-yloxy)benzoic acid
PubChem CID79904986
Molecular FormulaC16H20O4
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name4-(6-oxaspiro[4.5]decan-9-yloxy)benzoic acid
SMILESO=C(O)c1ccc(OC2CCOC3(CCCC3)C2)cc1
InChIInChI=1S/C16H20O4/c17-15(18)12-3-5-13(6-4-12)20-14-7-10-19-16(11-14)8-1-2-9-16/h3-6,14H,1-2,7-11H2,(H,17,18)
InChIKeyRCVYYXLTECYCFY-UHFFFAOYSA-N
XLogP3.26
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
CID 79904831
4-(4-methylphenoxy)-1-oxaspiro[5.5]undecane
CID 79923185
4-[(3R)-oxolan-3-yl]oxybenzoic acid
CID 95979365
N-methyl-4-(6-oxaspiro[4.5]decan-9-yloxy)aniline
CID 79911910
1-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
CID 79899545
N-[[4-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]methyl]ethanamine
CID 79899819
4-(5-oxaspiro[3.5]nonan-8-yloxy)thiophene-2-carboxylic acid
CID 79904640
2-[4-(1-oxaspiro[5.5]undecan-4-yloxy)phenyl]ethanamine
CID 79902831
N-methyl-1-[4-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine
CID 79899854
1-[4-(5-oxaspiro[3.5]nonan-8-yloxy)phenyl]ethanamine
CID 79904241
5-bromo-2-(5-oxaspiro[3.5]nonan-8-yloxy)benzoic acid
CID 79905392
3-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
CID 79904555

Frequently Asked Questions

What is the IUPAC name of 4-(6-oxaspiro[4.5]decan-9-yloxy)benzoic acid?
The IUPAC name of 4-(6-oxaspiro[4.5]decan-9-yloxy)benzoic acid (CID 79904986) is 4-(6-oxaspiro[4.5]decan-9-yloxy)benzoic acid.
What is the SMILES notation for 4-(6-oxaspiro[4.5]decan-9-yloxy)benzoic acid?
The canonical SMILES for 4-(6-oxaspiro[4.5]decan-9-yloxy)benzoic acid is O=C(O)c1ccc(OC2CCOC3(CCCC3)C2)cc1.
What is the InChIKey of 4-(6-oxaspiro[4.5]decan-9-yloxy)benzoic acid?
The InChIKey is RCVYYXLTECYCFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O4/c17-15(18)12-3-5-13(6-4-12)20-14-7-10-19-16(11-14)8-1-2-9-16/h3-6,14H,1-2,7-11H2,(H,17,18).
What are the key properties of 4-(6-oxaspiro[4.5]decan-9-yloxy)benzoic acid?
4-(6-oxaspiro[4.5]decan-9-yloxy)benzoic acid has a molecular weight of 276.33 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-oxaspiro[4.5]decan-9-yloxy)benzoic acid is sourced from PubChem (CID 79904986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).