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

C10H16O4 — CID 58557303

IUPAC7-ethyl-1,4-dioxaspiro[4.4]nonane-8-carboxylic acid
SMILESCCC1CC2(CC1C(=O)O)OCCO2
InChIInChI=1S/C10H16O4/c1-2-7-5-10(13-3-4-14-10)6-8(7)9(11)12/h7-8H,2-6H2,1H3,(H,11,12)
InChIKeyHOOLPCFAINNRDE-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.25
Rot. Bonds2

About 7-ethyl-1,4-dioxaspiro[4.4]nonane-8-carboxylic acid

7-ethyl-1,4-dioxaspiro[4.4]nonane-8-carboxylic acid (PubChem CID 58557303) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 7-ethyl-1,4-dioxaspiro[4.4]nonane-8-carboxylic acid.

Molecular Properties

Compound Name7-ethyl-1,4-dioxaspiro[4.4]nonane-8-carboxylic acid
PubChem CID58557303
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name7-ethyl-1,4-dioxaspiro[4.4]nonane-8-carboxylic acid
SMILESCCC1CC2(CC1C(=O)O)OCCO2
InChIInChI=1S/C10H16O4/c1-2-7-5-10(13-3-4-14-10)6-8(7)9(11)12/h7-8H,2-6H2,1H3,(H,11,12)
InChIKeyHOOLPCFAINNRDE-UHFFFAOYSA-N
XLogP1.25
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1,4-dioxaspiro[4.4]nonane-8-carboxylic acid?
The IUPAC name of 7-ethyl-1,4-dioxaspiro[4.4]nonane-8-carboxylic acid (CID 58557303) is 7-ethyl-1,4-dioxaspiro[4.4]nonane-8-carboxylic acid.
What is the SMILES notation for 7-ethyl-1,4-dioxaspiro[4.4]nonane-8-carboxylic acid?
The canonical SMILES for 7-ethyl-1,4-dioxaspiro[4.4]nonane-8-carboxylic acid is CCC1CC2(CC1C(=O)O)OCCO2.
What is the InChIKey of 7-ethyl-1,4-dioxaspiro[4.4]nonane-8-carboxylic acid?
The InChIKey is HOOLPCFAINNRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-2-7-5-10(13-3-4-14-10)6-8(7)9(11)12/h7-8H,2-6H2,1H3,(H,11,12).
What are the key properties of 7-ethyl-1,4-dioxaspiro[4.4]nonane-8-carboxylic acid?
7-ethyl-1,4-dioxaspiro[4.4]nonane-8-carboxylic acid has a molecular weight of 200.23 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1,4-dioxaspiro[4.4]nonane-8-carboxylic acid is sourced from PubChem (CID 58557303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).