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

C17H22O4 — CID 102896209

IUPAC2-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzoic acid
SMILESO=C(O)c1ccccc1OCC1CCC2(CCCCC2)O1
InChIInChI=1S/C17H22O4/c18-16(19)14-6-2-3-7-15(14)20-12-13-8-11-17(21-13)9-4-1-5-10-17/h2-3,6-7,13H,1,4-5,8-12H2,(H,18,19)
InChIKeyWZGCODHDMUQWAM-UHFFFAOYSA-N
MW290.36 g/mol
LogP3.65
Rot. Bonds4

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

2-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzoic acid (PubChem CID 102896209) has the molecular formula C17H22O4 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzoic acid.

Molecular Properties

Compound Name2-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzoic acid
PubChem CID102896209
Molecular FormulaC17H22O4
Molecular Weight290.36 g/mol
Exact Mass290.15
IUPAC Name2-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzoic acid
SMILESO=C(O)c1ccccc1OCC1CCC2(CCCCC2)O1
InChIInChI=1S/C17H22O4/c18-16(19)14-6-2-3-7-15(14)20-12-13-8-11-17(21-13)9-4-1-5-10-17/h2-3,6-7,13H,1,4-5,8-12H2,(H,18,19)
InChIKeyWZGCODHDMUQWAM-UHFFFAOYSA-N
XLogP3.65
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)benzoic acid
CID 102898225
5-chloro-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)benzoic acid
CID 102896214
5-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)benzoic acid
CID 102896216
2-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzenecarboximidamide
CID 102898342
[2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanol
CID 102898603
3-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzoic acid
CID 102896207
1-[2-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]ethanol
CID 102898614
2-(1-oxaspiro[4.5]decan-2-ylmethylsulfanyl)benzoic acid
CID 102896253
3-bromo-4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)benzoic acid
CID 102898227
4-(1-oxaspiro[4.4]nonan-2-ylmethoxy)-2,3-dihydroinden-1-one
CID 102898126
[2-fluoro-6-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]methanamine
CID 102896073
[2-fluoro-6-(1-oxaspiro[4.4]nonan-2-ylmethoxy)phenyl]methanamine
CID 102896074

Frequently Asked Questions

What is the IUPAC name of 2-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzoic acid?
The IUPAC name of 2-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzoic acid (CID 102896209) is 2-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzoic acid.
What is the SMILES notation for 2-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzoic acid?
The canonical SMILES for 2-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzoic acid is O=C(O)c1ccccc1OCC1CCC2(CCCCC2)O1.
What is the InChIKey of 2-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzoic acid?
The InChIKey is WZGCODHDMUQWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O4/c18-16(19)14-6-2-3-7-15(14)20-12-13-8-11-17(21-13)9-4-1-5-10-17/h2-3,6-7,13H,1,4-5,8-12H2,(H,18,19).
What are the key properties of 2-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzoic acid?
2-(1-oxaspiro[4.5]decan-2-ylmethoxy)benzoic acid has a molecular weight of 290.36 g/mol, XLogP of 3.65, 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)benzoic acid is sourced from PubChem (CID 102896209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).