2-[(9R)-1,4-dioxaspiro[4.4]nonan-9-yl]acetic acid

C9H14O4 — CID 98041281

IUPAC2-[(9R)-1,4-dioxaspiro[4.4]nonan-9-yl]acetic acid
SMILESO=C(O)C[C@H]1CCCC12OCCO2
InChIInChI=1S/C9H14O4/c10-8(11)6-7-2-1-3-9(7)12-4-5-13-9/h7H,1-6H2,(H,10,11)/t7-/m1/s1
InChIKeyMCRYAKAVYRVEOI-SSDOTTSWSA-N
MW186.21 g/mol
LogP1.00
Rot. Bonds2

About 2-[(9R)-1,4-dioxaspiro[4.4]nonan-9-yl]acetic acid

2-[(9R)-1,4-dioxaspiro[4.4]nonan-9-yl]acetic acid (PubChem CID 98041281) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-[(9R)-1,4-dioxaspiro[4.4]nonan-9-yl]acetic acid.

Molecular Properties

Compound Name2-[(9R)-1,4-dioxaspiro[4.4]nonan-9-yl]acetic acid
PubChem CID98041281
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name2-[(9R)-1,4-dioxaspiro[4.4]nonan-9-yl]acetic acid
SMILESO=C(O)C[C@H]1CCCC12OCCO2
InChIInChI=1S/C9H14O4/c10-8(11)6-7-2-1-3-9(7)12-4-5-13-9/h7H,1-6H2,(H,10,11)/t7-/m1/s1
InChIKeyMCRYAKAVYRVEOI-SSDOTTSWSA-N
XLogP1.00
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,4-dioxaspiro[4.5]decan-6-yl)-N,N-dimethylacetamide
CID 121001643
2-[(4R)-1-oxaspiro[2.5]octan-4-yl]acetic acid
CID 130640853
1-(1,4-dioxaspiro[4.4]nonan-9-yl)octan-3-one
CID 152746966
3-[(6S)-1,4-dioxaspiro[4.5]decan-6-yl]propanehydrazide
CID 7336205
(1'R)-spiro[1,3-dioxolane-2,5'-bicyclo[4.2.0]octane]-1'-carboxylic acid
CID 134917059
1,4-dioxaspiro[4.6]undecane-6-carboxylic acid
CID 131629776
(9S)-9-(methoxymethoxymethyl)-1,4-dioxaspiro[4.4]nonane
CID 124672672
2-spiro[2.3]hexan-6-ylacetic acid
CID 121207798
(3'aR)-spiro[1,3-dioxolane-2,7'-2,3,4,5,6,7a-hexahydro-1H-indene]-3'a-ol
CID 102125811
3-(1,4-dioxaspiro[4.5]decan-6-yl)propanenitrile
CID 5240364
1-[(1S,2R)-2-hydroxy-2-methylcyclopentyl]propan-2-one
CID 15006382
(6R,7R)-1,4-dioxaspiro[4.5]decane-6,7-diol
CID 130977943

Frequently Asked Questions

What is the IUPAC name of 2-[(9R)-1,4-dioxaspiro[4.4]nonan-9-yl]acetic acid?
The IUPAC name of 2-[(9R)-1,4-dioxaspiro[4.4]nonan-9-yl]acetic acid (CID 98041281) is 2-[(9R)-1,4-dioxaspiro[4.4]nonan-9-yl]acetic acid.
What is the SMILES notation for 2-[(9R)-1,4-dioxaspiro[4.4]nonan-9-yl]acetic acid?
The canonical SMILES for 2-[(9R)-1,4-dioxaspiro[4.4]nonan-9-yl]acetic acid is O=C(O)C[C@H]1CCCC12OCCO2.
What is the InChIKey of 2-[(9R)-1,4-dioxaspiro[4.4]nonan-9-yl]acetic acid?
The InChIKey is MCRYAKAVYRVEOI-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H14O4/c10-8(11)6-7-2-1-3-9(7)12-4-5-13-9/h7H,1-6H2,(H,10,11)/t7-/m1/s1.
What are the key properties of 2-[(9R)-1,4-dioxaspiro[4.4]nonan-9-yl]acetic acid?
2-[(9R)-1,4-dioxaspiro[4.4]nonan-9-yl]acetic acid has a molecular weight of 186.21 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9R)-1,4-dioxaspiro[4.4]nonan-9-yl]acetic acid is sourced from PubChem (CID 98041281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).