3a-methoxy-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-4-carboxylic acid

C9H14O6 — CID 23506534

IUPAC3a-methoxy-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-4-carboxylic acid
SMILESCOC12OC(C)(C)OC1COC2C(=O)O
InChIInChI=1S/C9H14O6/c1-8(2)14-5-4-13-6(7(10)11)9(5,12-3)15-8/h5-6H,4H2,1-3H3,(H,10,11)
InChIKeyFZKGHEUMYODFEJ-UHFFFAOYSA-N
MW218.20 g/mol
LogP-0.04
Rot. Bonds2

About 3a-methoxy-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-4-carboxylic acid

3a-methoxy-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-4-carboxylic acid (PubChem CID 23506534) has the molecular formula C9H14O6 and a molecular weight of 218.20 g/mol. Its IUPAC name is 3a-methoxy-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-4-carboxylic acid.

Molecular Properties

Compound Name3a-methoxy-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-4-carboxylic acid
PubChem CID23506534
Molecular FormulaC9H14O6
Molecular Weight218.20 g/mol
Exact Mass218.08
IUPAC Name3a-methoxy-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-4-carboxylic acid
SMILESCOC12OC(C)(C)OC1COC2C(=O)O
InChIInChI=1S/C9H14O6/c1-8(2)14-5-4-13-6(7(10)11)9(5,12-3)15-8/h5-6H,4H2,1-3H3,(H,10,11)
InChIKeyFZKGHEUMYODFEJ-UHFFFAOYSA-N
XLogP-0.04
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3a-methoxy-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-4-carboxylic acid with MolForge

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Related Compounds

(3aR,4R,6aR)-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-ol
CID 129364122
(3aS,6aS)-3a-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-ol
CID 24861883
(4S,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxane-4-carboxylic acid
CID 126712187
2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
CID 10909699
methyl 2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-4-carboxylate
CID 175959014
2,2-dimethyl-1,3-dioxolane-4-carboxylic acid;hydrochloride
CID 69349368
sodium (4S)-2,2,5,5-tetramethyl-1,3-dioxolane-4-carboxylate
CID 141173808
(4S,5S)-5-ethyl-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid
CID 10583365
potassium;(4R)-2,2-dimethyl-1,3-dioxolane-4-carboxylic acid;hydride
CID 173083628
methyl 2,2-dimethyl-(4,5-13C2)1,3-dioxolane-4-carboxylate
CID 169439042
(3'aS,4R,6'S,6'aR)-2,2,2',2'-tetramethylspiro[1,3-dioxolane-4,4'-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole]-6'-carboxylic acid
CID 11832585
sodium 3-methyl-3-propan-2-yloxirane-2-carboxylic acid
CID 54606526

Frequently Asked Questions

What is the IUPAC name of 3a-methoxy-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-4-carboxylic acid?
The IUPAC name of 3a-methoxy-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-4-carboxylic acid (CID 23506534) is 3a-methoxy-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-4-carboxylic acid.
What is the SMILES notation for 3a-methoxy-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-4-carboxylic acid?
The canonical SMILES for 3a-methoxy-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-4-carboxylic acid is COC12OC(C)(C)OC1COC2C(=O)O.
What is the InChIKey of 3a-methoxy-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-4-carboxylic acid?
The InChIKey is FZKGHEUMYODFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O6/c1-8(2)14-5-4-13-6(7(10)11)9(5,12-3)15-8/h5-6H,4H2,1-3H3,(H,10,11).
What are the key properties of 3a-methoxy-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-4-carboxylic acid?
3a-methoxy-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-4-carboxylic acid has a molecular weight of 218.20 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3a-methoxy-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxole-4-carboxylic acid is sourced from PubChem (CID 23506534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).