6-methyl-5-oxaspiro[3.4]octane-6-carboxylic acid

C9H14O3 — CID 130585368

IUPAC6-methyl-5-oxaspiro[3.4]octane-6-carboxylic acid
SMILESCC1(C(=O)O)CCC2(CCC2)O1
InChIInChI=1S/C9H14O3/c1-8(7(10)11)5-6-9(12-8)3-2-4-9/h2-6H2,1H3,(H,10,11)
InChIKeyZFQVWGORASDTOZ-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.56
Rot. Bonds1

About 6-methyl-5-oxaspiro[3.4]octane-6-carboxylic acid

6-methyl-5-oxaspiro[3.4]octane-6-carboxylic acid (PubChem CID 130585368) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 6-methyl-5-oxaspiro[3.4]octane-6-carboxylic acid.

Molecular Properties

Compound Name6-methyl-5-oxaspiro[3.4]octane-6-carboxylic acid
PubChem CID130585368
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name6-methyl-5-oxaspiro[3.4]octane-6-carboxylic acid
SMILESCC1(C(=O)O)CCC2(CCC2)O1
InChIInChI=1S/C9H14O3/c1-8(7(10)11)5-6-9(12-8)3-2-4-9/h2-6H2,1H3,(H,10,11)
InChIKeyZFQVWGORASDTOZ-UHFFFAOYSA-N
XLogP1.56
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-7,7-dioxo-1-oxa-7λ6-thiaspiro[4.4]nonane-2-carboxylic acid
CID 130585385
2,7-dimethyl-1,8-dioxaspiro[4.5]decane-2-carboxylic acid
CID 130585344
(2R,5R)-2-methyl-5-propan-2-yloxolane-2,5-dicarboxylic acid
CID 7054377
(2R)-2-methyloxetane-2-carboxylic acid
CID 97031044
3-hydroxy-1,2',3,6-tetramethyl-2,5-dioxospiro[7-oxabicyclo[4.1.0]heptane-4,5'-oxolane]-2'-carboxylic acid
CID 46219982
(1S)-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 11805005
methane;5-methyl-2,2-dioxooxathiolane-5-carboxylic acid
CID 87372551
3-methyl-N-(1-methylcyclobutyl)but-2-enamide
CID 126972850
(2R)-2-methyl-3,4-dihydropyran-2-carboxylic acid
CID 121475933
6,6-dimethyl-2-(2-sulfanylidenebutyl)oxane-2-carboxylic acid
CID 87854081
5-cyclohexyl-2-methyloxolane-2-carboxylic acid
CID 127019504
methyl 2-methyloxolane-2-carboxylate;2-methyloxolane-2-carboxylic acid
CID 161258796

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-oxaspiro[3.4]octane-6-carboxylic acid?
The IUPAC name of 6-methyl-5-oxaspiro[3.4]octane-6-carboxylic acid (CID 130585368) is 6-methyl-5-oxaspiro[3.4]octane-6-carboxylic acid.
What is the SMILES notation for 6-methyl-5-oxaspiro[3.4]octane-6-carboxylic acid?
The canonical SMILES for 6-methyl-5-oxaspiro[3.4]octane-6-carboxylic acid is CC1(C(=O)O)CCC2(CCC2)O1.
What is the InChIKey of 6-methyl-5-oxaspiro[3.4]octane-6-carboxylic acid?
The InChIKey is ZFQVWGORASDTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-8(7(10)11)5-6-9(12-8)3-2-4-9/h2-6H2,1H3,(H,10,11).
What are the key properties of 6-methyl-5-oxaspiro[3.4]octane-6-carboxylic acid?
6-methyl-5-oxaspiro[3.4]octane-6-carboxylic acid has a molecular weight of 170.21 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-oxaspiro[3.4]octane-6-carboxylic acid is sourced from PubChem (CID 130585368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).