2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpropanoic acid

C12H20O4 — CID 150239418

IUPAC2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C1CCC2(CC1)OCCO2
InChIInChI=1S/C12H20O4/c1-11(2,10(13)14)9-3-5-12(6-4-9)15-7-8-16-12/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyFXEYLUXWNANEGT-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.03
Rot. Bonds2

About 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpropanoic acid

2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpropanoic acid (PubChem CID 150239418) has the molecular formula C12H20O4 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpropanoic acid
PubChem CID150239418
Molecular FormulaC12H20O4
Molecular Weight228.29 g/mol
Exact Mass228.14
IUPAC Name2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C1CCC2(CC1)OCCO2
InChIInChI=1S/C12H20O4/c1-11(2,10(13)14)9-3-5-12(6-4-9)15-7-8-16-12/h9H,3-8H2,1-2H3,(H,13,14)
InChIKeyFXEYLUXWNANEGT-UHFFFAOYSA-N
XLogP2.03
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpropanoic acid (CID 150239418) is 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpropanoic acid is CC(C)(C(=O)O)C1CCC2(CC1)OCCO2.
What is the InChIKey of 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpropanoic acid?
The InChIKey is FXEYLUXWNANEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4/c1-11(2,10(13)14)9-3-5-12(6-4-9)15-7-8-16-12/h9H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpropanoic acid?
2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpropanoic acid has a molecular weight of 228.29 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpropanoic acid is sourced from PubChem (CID 150239418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).