8-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylic acid

C9H14O4 — CID 171935282

IUPAC8-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylic acid
SMILESCC1(C(=O)O)CCC2(C1)OCCO2
InChIInChI=1S/C9H14O4/c1-8(7(10)11)2-3-9(6-8)12-4-5-13-9/h2-6H2,1H3,(H,10,11)
InChIKeyNARGAKUUPPQDSQ-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.00
Rot. Bonds1

About 8-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylic acid

8-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylic acid (PubChem CID 171935282) has the molecular formula C9H14O4 and a molecular weight of 186.21 g/mol. Its IUPAC name is 8-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylic acid.

Molecular Properties

Compound Name8-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylic acid
PubChem CID171935282
Molecular FormulaC9H14O4
Molecular Weight186.21 g/mol
Exact Mass186.09
IUPAC Name8-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylic acid
SMILESCC1(C(=O)O)CCC2(C1)OCCO2
InChIInChI=1S/C9H14O4/c1-8(7(10)11)2-3-9(6-8)12-4-5-13-9/h2-6H2,1H3,(H,10,11)
InChIKeyNARGAKUUPPQDSQ-UHFFFAOYSA-N
XLogP1.00
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
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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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylic acid?
The IUPAC name of 8-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylic acid (CID 171935282) is 8-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylic acid.
What is the SMILES notation for 8-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylic acid?
The canonical SMILES for 8-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylic acid is CC1(C(=O)O)CCC2(C1)OCCO2.
What is the InChIKey of 8-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylic acid?
The InChIKey is NARGAKUUPPQDSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O4/c1-8(7(10)11)2-3-9(6-8)12-4-5-13-9/h2-6H2,1H3,(H,10,11).
What are the key properties of 8-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylic acid?
8-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylic acid has a molecular weight of 186.21 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1,4-dioxaspiro[4.4]nonane-8-carboxylic acid is sourced from PubChem (CID 171935282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).