2-[2-(2-methoxy-2-oxoethyl)-1,3-dioxolan-2-yl]acetic acid

C8H12O6 — CID 14156083

IUPAC2-[2-(2-methoxy-2-oxoethyl)-1,3-dioxolan-2-yl]acetic acid
SMILESCOC(=O)CC1(CC(=O)O)OCCO1
InChIInChI=1S/C8H12O6/c1-12-7(11)5-8(4-6(9)10)13-2-3-14-8/h2-5H2,1H3,(H,9,10)
InChIKeyBGDRRIXOELMTBS-UHFFFAOYSA-N
MW204.18 g/mol
LogP-0.23
Rot. Bonds4

About 2-[2-(2-methoxy-2-oxoethyl)-1,3-dioxolan-2-yl]acetic acid

2-[2-(2-methoxy-2-oxoethyl)-1,3-dioxolan-2-yl]acetic acid (PubChem CID 14156083) has the molecular formula C8H12O6 and a molecular weight of 204.18 g/mol. Its IUPAC name is 2-[2-(2-methoxy-2-oxoethyl)-1,3-dioxolan-2-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-methoxy-2-oxoethyl)-1,3-dioxolan-2-yl]acetic acid
PubChem CID14156083
Molecular FormulaC8H12O6
Molecular Weight204.18 g/mol
Exact Mass204.06
IUPAC Name2-[2-(2-methoxy-2-oxoethyl)-1,3-dioxolan-2-yl]acetic acid
SMILESCOC(=O)CC1(CC(=O)O)OCCO1
InChIInChI=1S/C8H12O6/c1-12-7(11)5-8(4-6(9)10)13-2-3-14-8/h2-5H2,1H3,(H,9,10)
InChIKeyBGDRRIXOELMTBS-UHFFFAOYSA-N
XLogP-0.23
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxy-2-oxoethyl)-1,3-dioxolan-2-yl]acetic acid?
The IUPAC name of 2-[2-(2-methoxy-2-oxoethyl)-1,3-dioxolan-2-yl]acetic acid (CID 14156083) is 2-[2-(2-methoxy-2-oxoethyl)-1,3-dioxolan-2-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-methoxy-2-oxoethyl)-1,3-dioxolan-2-yl]acetic acid?
The canonical SMILES for 2-[2-(2-methoxy-2-oxoethyl)-1,3-dioxolan-2-yl]acetic acid is COC(=O)CC1(CC(=O)O)OCCO1.
What is the InChIKey of 2-[2-(2-methoxy-2-oxoethyl)-1,3-dioxolan-2-yl]acetic acid?
The InChIKey is BGDRRIXOELMTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O6/c1-12-7(11)5-8(4-6(9)10)13-2-3-14-8/h2-5H2,1H3,(H,9,10).
What are the key properties of 2-[2-(2-methoxy-2-oxoethyl)-1,3-dioxolan-2-yl]acetic acid?
2-[2-(2-methoxy-2-oxoethyl)-1,3-dioxolan-2-yl]acetic acid has a molecular weight of 204.18 g/mol, XLogP of -0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxy-2-oxoethyl)-1,3-dioxolan-2-yl]acetic acid is sourced from PubChem (CID 14156083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).