(4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylic acid

C7H10O6 — CID 6712407

IUPAC(4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylic acid
SMILESCC1(C)O[C@H](C(=O)O)[C@@H](C(=O)O)O1
InChIInChI=1S/C7H10O6/c1-7(2)12-3(5(8)9)4(13-7)6(10)11/h3-4H,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m0/s1
InChIKeyZJRYLTPWHABKIT-IMJSIDKUSA-N
MW190.15 g/mol
LogP-0.32
Rot. Bonds2

About (4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylic acid

(4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylic acid (PubChem CID 6712407) has the molecular formula C7H10O6 and a molecular weight of 190.15 g/mol. Its IUPAC name is (4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylic acid.

Molecular Properties

Compound Name(4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylic acid
PubChem CID6712407
Molecular FormulaC7H10O6
Molecular Weight190.15 g/mol
Exact Mass190.05
IUPAC Name(4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylic acid
SMILESCC1(C)O[C@H](C(=O)O)[C@@H](C(=O)O)O1
InChIInChI=1S/C7H10O6/c1-7(2)12-3(5(8)9)4(13-7)6(10)11/h3-4H,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m0/s1
InChIKeyZJRYLTPWHABKIT-IMJSIDKUSA-N
XLogP-0.32
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylic acid?
The IUPAC name of (4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylic acid (CID 6712407) is (4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylic acid.
What is the SMILES notation for (4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylic acid?
The canonical SMILES for (4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylic acid is CC1(C)O[C@H](C(=O)O)[C@@H](C(=O)O)O1.
What is the InChIKey of (4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylic acid?
The InChIKey is ZJRYLTPWHABKIT-IMJSIDKUSA-N. The full InChI is InChI=1S/C7H10O6/c1-7(2)12-3(5(8)9)4(13-7)6(10)11/h3-4H,1-2H3,(H,8,9)(H,10,11)/t3-,4-/m0/s1.
What are the key properties of (4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylic acid?
(4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylic acid has a molecular weight of 190.15 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylic acid is sourced from PubChem (CID 6712407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).