(4R,5R)-2-ethoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylic acid

C8H12O7 — CID 45093859

IUPAC(4R,5R)-2-ethoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylic acid
SMILESCCOC1(C)O[C@@H](C(=O)O)[C@H](C(=O)O)O1
InChIInChI=1S/C8H12O7/c1-3-13-8(2)14-4(6(9)10)5(15-8)7(11)12/h4-5H,3H2,1-2H3,(H,9,10)(H,11,12)/t4-,5-/m1/s1
InChIKeyKCRMYQTYROMUAT-RFZPGFLSSA-N
MW220.18 g/mol
LogP-0.35
Rot. Bonds4

About (4R,5R)-2-ethoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylic acid

(4R,5R)-2-ethoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylic acid (PubChem CID 45093859) has the molecular formula C8H12O7 and a molecular weight of 220.18 g/mol. Its IUPAC name is (4R,5R)-2-ethoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylic acid.

Molecular Properties

Compound Name(4R,5R)-2-ethoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylic acid
PubChem CID45093859
Molecular FormulaC8H12O7
Molecular Weight220.18 g/mol
Exact Mass220.06
IUPAC Name(4R,5R)-2-ethoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylic acid
SMILESCCOC1(C)O[C@@H](C(=O)O)[C@H](C(=O)O)O1
InChIInChI=1S/C8H12O7/c1-3-13-8(2)14-4(6(9)10)5(15-8)7(11)12/h4-5H,3H2,1-2H3,(H,9,10)(H,11,12)/t4-,5-/m1/s1
InChIKeyKCRMYQTYROMUAT-RFZPGFLSSA-N
XLogP-0.35
TPSA102.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-2-ethoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylic acid?
The IUPAC name of (4R,5R)-2-ethoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylic acid (CID 45093859) is (4R,5R)-2-ethoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylic acid.
What is the SMILES notation for (4R,5R)-2-ethoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylic acid?
The canonical SMILES for (4R,5R)-2-ethoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylic acid is CCOC1(C)O[C@@H](C(=O)O)[C@H](C(=O)O)O1.
What is the InChIKey of (4R,5R)-2-ethoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylic acid?
The InChIKey is KCRMYQTYROMUAT-RFZPGFLSSA-N. The full InChI is InChI=1S/C8H12O7/c1-3-13-8(2)14-4(6(9)10)5(15-8)7(11)12/h4-5H,3H2,1-2H3,(H,9,10)(H,11,12)/t4-,5-/m1/s1.
What are the key properties of (4R,5R)-2-ethoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylic acid?
(4R,5R)-2-ethoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylic acid has a molecular weight of 220.18 g/mol, XLogP of -0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2-ethoxy-2-methyl-1,3-dioxolane-4,5-dicarboxylic acid is sourced from PubChem (CID 45093859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).