2-(5-oxaspiro[2.5]octan-6-yl)acetic acid

C9H14O3 — CID 131585960

IUPAC2-(5-oxaspiro[2.5]octan-6-yl)acetic acid
SMILESO=C(O)CC1CCC2(CC2)CO1
InChIInChI=1S/C9H14O3/c10-8(11)5-7-1-2-9(3-4-9)6-12-7/h7H,1-6H2,(H,10,11)
InChIKeyFOKWRPLJYUEXOU-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.42
Rot. Bonds2

About 2-(5-oxaspiro[2.5]octan-6-yl)acetic acid

2-(5-oxaspiro[2.5]octan-6-yl)acetic acid (PubChem CID 131585960) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-(5-oxaspiro[2.5]octan-6-yl)acetic acid.

Molecular Properties

Compound Name2-(5-oxaspiro[2.5]octan-6-yl)acetic acid
PubChem CID131585960
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name2-(5-oxaspiro[2.5]octan-6-yl)acetic acid
SMILESO=C(O)CC1CCC2(CC2)CO1
InChIInChI=1S/C9H14O3/c10-8(11)5-7-1-2-9(3-4-9)6-12-7/h7H,1-6H2,(H,10,11)
InChIKeyFOKWRPLJYUEXOU-UHFFFAOYSA-N
XLogP1.42
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Oxan-2-yl)propanoic acid
CID 13432019
2-Methyl-2-(oxan-2-yl)propanoic acid
CID 84717449
1-(Oxolan-2-yl)cyclopropane-1-carboxylic acid
CID 84716617
[2,4'-Bioxane]-4'-carboxylic acid
CID 126827597
2-(6-Oxaspiro(3.5)nonan-7-yl)acetic acid
CID 126834701
2-(3,3-Dimethyloxan-2-yl)acetic acid
CID 138040312
2-[(2S,5R)-5-Methyloxan-2-yl]acetic acid
CID 145913065
2-{6-Oxaspiro[2.5]octan-5-yl}acetic acid
CID 167726015
3-(Cyclopropylmethyl)-4-fluorooxane-3-carboxylic acid
CID 84776747
4,4-Difluoro-1-(oxan-2-yl)cyclohexane-1-carboxylic acid
CID 165674134
2,2-Difluoro-1-(oxan-2-yl)cyclopropane-1-carboxylic acid
CID 165843745
Ethyl 1-(1-hyroxyethyl)-1-cyclohexyl-carboxylate
CID 20575444

Frequently Asked Questions

What is the IUPAC name of 2-(5-oxaspiro[2.5]octan-6-yl)acetic acid?
The IUPAC name of 2-(5-oxaspiro[2.5]octan-6-yl)acetic acid (CID 131585960) is 2-(5-oxaspiro[2.5]octan-6-yl)acetic acid.
What is the SMILES notation for 2-(5-oxaspiro[2.5]octan-6-yl)acetic acid?
The canonical SMILES for 2-(5-oxaspiro[2.5]octan-6-yl)acetic acid is O=C(O)CC1CCC2(CC2)CO1.
What is the InChIKey of 2-(5-oxaspiro[2.5]octan-6-yl)acetic acid?
The InChIKey is FOKWRPLJYUEXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c10-8(11)5-7-1-2-9(3-4-9)6-12-7/h7H,1-6H2,(H,10,11).
What are the key properties of 2-(5-oxaspiro[2.5]octan-6-yl)acetic acid?
2-(5-oxaspiro[2.5]octan-6-yl)acetic acid has a molecular weight of 170.21 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxaspiro[2.5]octan-6-yl)acetic acid is sourced from PubChem (CID 131585960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).