2,2-dimethylpropanoic acid;4-methyl-1,3-dioxolan-2-one

C9H16O5 — CID 158234660

IUPAC2,2-dimethylpropanoic acid;4-methyl-1,3-dioxolan-2-one
SMILESCC(C)(C)C(=O)O.CC1COC(=O)O1
InChIInChI=1S/C5H10O2.C4H6O3/c1-5(2,3)4(6)7;1-3-2-6-4(5)7-3/h1-3H3,(H,6,7);3H,2H2,1H3
InChIKeyGEUVBSBHMPBNFJ-UHFFFAOYSA-N
MW204.22 g/mol
LogP1.66
Rot. Bonds

About 2,2-dimethylpropanoic acid;4-methyl-1,3-dioxolan-2-one

2,2-dimethylpropanoic acid;4-methyl-1,3-dioxolan-2-one (PubChem CID 158234660) has the molecular formula C9H16O5 and a molecular weight of 204.22 g/mol. Its IUPAC name is 2,2-dimethylpropanoic acid;4-methyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name2,2-dimethylpropanoic acid;4-methyl-1,3-dioxolan-2-one
PubChem CID158234660
Molecular FormulaC9H16O5
Molecular Weight204.22 g/mol
Exact Mass204.10
IUPAC Name2,2-dimethylpropanoic acid;4-methyl-1,3-dioxolan-2-one
SMILESCC(C)(C)C(=O)O.CC1COC(=O)O1
InChIInChI=1S/C5H10O2.C4H6O3/c1-5(2,3)4(6)7;1-3-2-6-4(5)7-3/h1-3H3,(H,6,7);3H,2H2,1H3
InChIKeyGEUVBSBHMPBNFJ-UHFFFAOYSA-N
XLogP1.66
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 21280178
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CID 174868758
ethyl carbamate;4-methyl-1,3-dioxolan-2-one
CID 174599772
ethyl methyl carbonate;4-methyl-1,3-dioxolan-2-one
CID 135304393
hexane-1,1,1-triol;4-methyl-1,3-dioxolan-2-one
CID 160655445
4-methyl-1,3-dioxolan-2-one;tetraethylazanium;fluoride
CID 21289642
2-ethoxyethanol;4-methyl-1,3-dioxolan-2-one
CID 174922759
4-methyl-3,4-dihydro-2,5-benzodioxocine-1,6-dione;4-methyl-1,3-dioxolan-2-one
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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropanoic acid;4-methyl-1,3-dioxolan-2-one?
The IUPAC name of 2,2-dimethylpropanoic acid;4-methyl-1,3-dioxolan-2-one (CID 158234660) is 2,2-dimethylpropanoic acid;4-methyl-1,3-dioxolan-2-one.
What is the SMILES notation for 2,2-dimethylpropanoic acid;4-methyl-1,3-dioxolan-2-one?
The canonical SMILES for 2,2-dimethylpropanoic acid;4-methyl-1,3-dioxolan-2-one is CC(C)(C)C(=O)O.CC1COC(=O)O1.
What is the InChIKey of 2,2-dimethylpropanoic acid;4-methyl-1,3-dioxolan-2-one?
The InChIKey is GEUVBSBHMPBNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.C4H6O3/c1-5(2,3)4(6)7;1-3-2-6-4(5)7-3/h1-3H3,(H,6,7);3H,2H2,1H3.
What are the key properties of 2,2-dimethylpropanoic acid;4-methyl-1,3-dioxolan-2-one?
2,2-dimethylpropanoic acid;4-methyl-1,3-dioxolan-2-one has a molecular weight of 204.22 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropanoic acid;4-methyl-1,3-dioxolan-2-one is sourced from PubChem (CID 158234660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).