ethyl 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetate

C9H14O5 — CID 147020402

IUPACethyl 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetate
SMILESCCOC(=O)CC1OC(C)(C)OC1=O
InChIInChI=1S/C9H14O5/c1-4-12-7(10)5-6-8(11)14-9(2,3)13-6/h6H,4-5H2,1-3H3
InChIKeyAVOWRQFMZHDBMI-UHFFFAOYSA-N
MW202.21 g/mol
LogP0.62
Rot. Bonds3

About ethyl 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetate

ethyl 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetate (PubChem CID 147020402) has the molecular formula C9H14O5 and a molecular weight of 202.21 g/mol. Its IUPAC name is ethyl 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetate
PubChem CID147020402
Molecular FormulaC9H14O5
Molecular Weight202.21 g/mol
Exact Mass202.08
IUPAC Nameethyl 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetate
SMILESCCOC(=O)CC1OC(C)(C)OC1=O
InChIInChI=1S/C9H14O5/c1-4-12-7(10)5-6-8(11)14-9(2,3)13-6/h6H,4-5H2,1-3H3
InChIKeyAVOWRQFMZHDBMI-UHFFFAOYSA-N
XLogP0.62
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate
CID 129184793
2-(2-methoxyethoxy)ethyl 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate
CID 21356677
ethyl 2-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)acetate
CID 71344322
tert-butyl 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate
CID 122670979
(2,3,4,5,6-pentafluorophenyl) 2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate
CID 89191791
5-[2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]-1-hydroxyethylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 54749074
(5S)-5-(2-hydroxyethyl)-2,2-dimethyl-1,3-dioxolan-4-one
CID 10975778
1-O-butyl 4-O-(2,5-dioxopyrrolidin-1-yl) (2S)-2-[2-[(4S)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetyl]oxybutanedioate
CID 129184283
(5R)-5-(2-hydroxy-2-methoxyethyl)-2,2-dimethyl-1,3-dioxolan-4-one
CID 163955242
bis(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl) propanedioate
CID 129027488
ethyl 2-[(3aR,4R,6R,6aS)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]acetate
CID 14258042
ethyl 2-[(3aS,4R,8R,8aS)-5,7-bis(cyclopropylmethyl)-4-(2-ethoxy-2-oxoethyl)-2,2-dimethyl-6-oxo-3a,4,8,8a-tetrahydro-[1,3]dioxolo[4,5-e][1,3]diazepin-8-yl]acetate
CID 10647909

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetate?
The IUPAC name of ethyl 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetate (CID 147020402) is ethyl 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetate.
What is the SMILES notation for ethyl 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetate?
The canonical SMILES for ethyl 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetate is CCOC(=O)CC1OC(C)(C)OC1=O.
What is the InChIKey of ethyl 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetate?
The InChIKey is AVOWRQFMZHDBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O5/c1-4-12-7(10)5-6-8(11)14-9(2,3)13-6/h6H,4-5H2,1-3H3.
What are the key properties of ethyl 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetate?
ethyl 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetate has a molecular weight of 202.21 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)acetate is sourced from PubChem (CID 147020402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).