1-oxaspiro[5.5]undecane-4-carboxylic acid

C11H18O3 — CID 79904011

IUPAC1-oxaspiro[5.5]undecane-4-carboxylic acid
SMILESO=C(O)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C11H18O3/c12-10(13)9-4-7-14-11(8-9)5-2-1-3-6-11/h9H,1-8H2,(H,12,13)
InChIKeyXQUCUBBLGUDQKZ-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.20
Rot. Bonds1

About 1-oxaspiro[5.5]undecane-4-carboxylic acid

1-oxaspiro[5.5]undecane-4-carboxylic acid (PubChem CID 79904011) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 1-oxaspiro[5.5]undecane-4-carboxylic acid.

Molecular Properties

Compound Name1-oxaspiro[5.5]undecane-4-carboxylic acid
PubChem CID79904011
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name1-oxaspiro[5.5]undecane-4-carboxylic acid
SMILESO=C(O)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C11H18O3/c12-10(13)9-4-7-14-11(8-9)5-2-1-3-6-11/h9H,1-8H2,(H,12,13)
InChIKeyXQUCUBBLGUDQKZ-UHFFFAOYSA-N
XLogP2.20
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9,9-dioxo-1-oxa-9λ6-thiaspiro[5.5]undecane-4-carboxylic acid
CID 131461751
5-oxaspiro[3.4]octane-2-carboxylic acid
CID 56962178
cyclopentyl(6-oxaspiro[4.5]decan-9-yl)methanone
CID 79913745
(2,2-dimethylcyclopropyl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 107003969
2-amino-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-one
CID 116551697
2-hydroxy-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one
CID 103451398
6-oxaspiro[4.5]decan-9-yl-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 115787700
(1-aminocyclobutyl)-(6-oxaspiro[4.5]decan-9-yl)methanone
CID 116598404
(1-aminocyclopentyl)-(5-oxaspiro[3.5]nonan-8-yl)methanone
CID 116558699
1-(6-oxaspiro[4.5]decan-9-yl)cyclooctane-1-carboxylic acid
CID 80610980
1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanone
CID 79912329
2-amino-2-methyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-one
CID 116560117

Frequently Asked Questions

What is the IUPAC name of 1-oxaspiro[5.5]undecane-4-carboxylic acid?
The IUPAC name of 1-oxaspiro[5.5]undecane-4-carboxylic acid (CID 79904011) is 1-oxaspiro[5.5]undecane-4-carboxylic acid.
What is the SMILES notation for 1-oxaspiro[5.5]undecane-4-carboxylic acid?
The canonical SMILES for 1-oxaspiro[5.5]undecane-4-carboxylic acid is O=C(O)C1CCOC2(CCCCC2)C1.
What is the InChIKey of 1-oxaspiro[5.5]undecane-4-carboxylic acid?
The InChIKey is XQUCUBBLGUDQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c12-10(13)9-4-7-14-11(8-9)5-2-1-3-6-11/h9H,1-8H2,(H,12,13).
What are the key properties of 1-oxaspiro[5.5]undecane-4-carboxylic acid?
1-oxaspiro[5.5]undecane-4-carboxylic acid has a molecular weight of 198.26 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxaspiro[5.5]undecane-4-carboxylic acid is sourced from PubChem (CID 79904011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).