8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid

C10H16O4 — CID 22591379

IUPAC8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
SMILESCC1(C(=O)O)CCC2(CC1)OCCO2
InChIInChI=1S/C10H16O4/c1-9(8(11)12)2-4-10(5-3-9)13-6-7-14-10/h2-7H2,1H3,(H,11,12)
InChIKeyREHMBWJXVOATBQ-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.39
Rot. Bonds1

About 8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid

8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid (PubChem CID 22591379) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid.

Molecular Properties

Compound Name8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
PubChem CID22591379
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
SMILESCC1(C(=O)O)CCC2(CC1)OCCO2
InChIInChI=1S/C10H16O4/c1-9(8(11)12)2-4-10(5-3-9)13-6-7-14-10/h2-7H2,1H3,(H,11,12)
InChIKeyREHMBWJXVOATBQ-UHFFFAOYSA-N
XLogP1.39
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.39
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[4.5]decane-8-carboxylic acid?
The IUPAC name of 8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid (CID 22591379) is 8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid.
What is the SMILES notation for 8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid?
The canonical SMILES for 8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid is CC1(C(=O)O)CCC2(CC1)OCCO2.
What is the InChIKey of 8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid?
The InChIKey is REHMBWJXVOATBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-9(8(11)12)2-4-10(5-3-9)13-6-7-14-10/h2-7H2,1H3,(H,11,12).
What are the key properties of 8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid?
8-methyl-1,4-dioxaspiro[4.5]decane-8-carboxylic acid has a molecular weight of 200.23 g/mol, XLogP of 1.39, 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]decane-8-carboxylic acid is sourced from PubChem (CID 22591379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).