3-(5-oxaspiro[3.5]nonan-8-yl)oxane-3-carboxylic acid

C14H22O4 — CID 103739463

IUPAC3-(5-oxaspiro[3.5]nonan-8-yl)oxane-3-carboxylic acid
SMILESO=C(O)C1(C2CCOC3(CCC3)C2)CCCOC1
InChIInChI=1S/C14H22O4/c15-12(16)14(6-2-7-17-10-14)11-3-8-18-13(9-11)4-1-5-13/h11H,1-10H2,(H,15,16)
InChIKeyLHXOXROOKNUSLE-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.22
Rot. Bonds2

About 3-(5-oxaspiro[3.5]nonan-8-yl)oxane-3-carboxylic acid

3-(5-oxaspiro[3.5]nonan-8-yl)oxane-3-carboxylic acid (PubChem CID 103739463) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-(5-oxaspiro[3.5]nonan-8-yl)oxane-3-carboxylic acid.

Molecular Properties

Compound Name3-(5-oxaspiro[3.5]nonan-8-yl)oxane-3-carboxylic acid
PubChem CID103739463
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name3-(5-oxaspiro[3.5]nonan-8-yl)oxane-3-carboxylic acid
SMILESO=C(O)C1(C2CCOC3(CCC3)C2)CCCOC1
InChIInChI=1S/C14H22O4/c15-12(16)14(6-2-7-17-10-14)11-3-8-18-13(9-11)4-1-5-13/h11H,1-10H2,(H,15,16)
InChIKeyLHXOXROOKNUSLE-UHFFFAOYSA-N
XLogP2.22
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-oxaspiro[3.5]nonan-8-yl)oxane-3-carboxylic acid?
The IUPAC name of 3-(5-oxaspiro[3.5]nonan-8-yl)oxane-3-carboxylic acid (CID 103739463) is 3-(5-oxaspiro[3.5]nonan-8-yl)oxane-3-carboxylic acid.
What is the SMILES notation for 3-(5-oxaspiro[3.5]nonan-8-yl)oxane-3-carboxylic acid?
The canonical SMILES for 3-(5-oxaspiro[3.5]nonan-8-yl)oxane-3-carboxylic acid is O=C(O)C1(C2CCOC3(CCC3)C2)CCCOC1.
What is the InChIKey of 3-(5-oxaspiro[3.5]nonan-8-yl)oxane-3-carboxylic acid?
The InChIKey is LHXOXROOKNUSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c15-12(16)14(6-2-7-17-10-14)11-3-8-18-13(9-11)4-1-5-13/h11H,1-10H2,(H,15,16).
What are the key properties of 3-(5-oxaspiro[3.5]nonan-8-yl)oxane-3-carboxylic acid?
3-(5-oxaspiro[3.5]nonan-8-yl)oxane-3-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-oxaspiro[3.5]nonan-8-yl)oxane-3-carboxylic acid is sourced from PubChem (CID 103739463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).