8-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylic acid

C10H14O4 — CID 170294430

IUPAC8-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylic acid
SMILESCC1=CCC2(CC1C(=O)O)OCCO2
InChIInChI=1S/C10H14O4/c1-7-2-3-10(13-4-5-14-10)6-8(7)9(11)12/h2,8H,3-6H2,1H3,(H,11,12)
InChIKeyASCXNQFZYRXBHB-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.17
Rot. Bonds1

About 8-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylic acid

8-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylic acid (PubChem CID 170294430) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is 8-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylic acid.

Molecular Properties

Compound Name8-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylic acid
PubChem CID170294430
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name8-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylic acid
SMILESCC1=CCC2(CC1C(=O)O)OCCO2
InChIInChI=1S/C10H14O4/c1-7-2-3-10(13-4-5-14-10)6-8(7)9(11)12/h2,8H,3-6H2,1H3,(H,11,12)
InChIKeyASCXNQFZYRXBHB-UHFFFAOYSA-N
XLogP1.17
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylic acid?
The IUPAC name of 8-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylic acid (CID 170294430) is 8-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylic acid.
What is the SMILES notation for 8-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylic acid?
The canonical SMILES for 8-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylic acid is CC1=CCC2(CC1C(=O)O)OCCO2.
What is the InChIKey of 8-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylic acid?
The InChIKey is ASCXNQFZYRXBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-7-2-3-10(13-4-5-14-10)6-8(7)9(11)12/h2,8H,3-6H2,1H3,(H,11,12).
What are the key properties of 8-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylic acid?
8-methyl-1,4-dioxaspiro[4.5]dec-8-ene-7-carboxylic acid has a molecular weight of 198.22 g/mol, XLogP of 1.17, 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[4.5]dec-8-ene-7-carboxylic acid is sourced from PubChem (CID 170294430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).