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

C9H14O6 — CID 45073516

IUPAC(4S,5S)-2,2,4,5-tetramethyl-1,3-dioxolane-4,5-dicarboxylic acid
SMILESCC1(C)O[C@](C)(C(=O)O)[C@@](C)(C(=O)O)O1
InChIInChI=1S/C9H14O6/c1-7(2)14-8(3,5(10)11)9(4,15-7)6(12)13/h1-4H3,(H,10,11)(H,12,13)/t8-,9-/m1/s1
InChIKeyLSAIIAKZVXFJOH-RKDXNWHRSA-N
MW218.20 g/mol
LogP0.46
Rot. Bonds2

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

(4S,5S)-2,2,4,5-tetramethyl-1,3-dioxolane-4,5-dicarboxylic acid (PubChem CID 45073516) has the molecular formula C9H14O6 and a molecular weight of 218.20 g/mol. Its IUPAC name is (4S,5S)-2,2,4,5-tetramethyl-1,3-dioxolane-4,5-dicarboxylic acid.

Molecular Properties

Compound Name(4S,5S)-2,2,4,5-tetramethyl-1,3-dioxolane-4,5-dicarboxylic acid
PubChem CID45073516
Molecular FormulaC9H14O6
Molecular Weight218.20 g/mol
Exact Mass218.08
IUPAC Name(4S,5S)-2,2,4,5-tetramethyl-1,3-dioxolane-4,5-dicarboxylic acid
SMILESCC1(C)O[C@](C)(C(=O)O)[C@@](C)(C(=O)O)O1
InChIInChI=1S/C9H14O6/c1-7(2)14-8(3,5(10)11)9(4,15-7)6(12)13/h1-4H3,(H,10,11)(H,12,13)/t8-,9-/m1/s1
InChIKeyLSAIIAKZVXFJOH-RKDXNWHRSA-N
XLogP0.46
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-2,2,4,5-tetramethyl-1,3-dioxolane-4,5-dicarboxylic acid?
The IUPAC name of (4S,5S)-2,2,4,5-tetramethyl-1,3-dioxolane-4,5-dicarboxylic acid (CID 45073516) is (4S,5S)-2,2,4,5-tetramethyl-1,3-dioxolane-4,5-dicarboxylic acid.
What is the SMILES notation for (4S,5S)-2,2,4,5-tetramethyl-1,3-dioxolane-4,5-dicarboxylic acid?
The canonical SMILES for (4S,5S)-2,2,4,5-tetramethyl-1,3-dioxolane-4,5-dicarboxylic acid is CC1(C)O[C@](C)(C(=O)O)[C@@](C)(C(=O)O)O1.
What is the InChIKey of (4S,5S)-2,2,4,5-tetramethyl-1,3-dioxolane-4,5-dicarboxylic acid?
The InChIKey is LSAIIAKZVXFJOH-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H14O6/c1-7(2)14-8(3,5(10)11)9(4,15-7)6(12)13/h1-4H3,(H,10,11)(H,12,13)/t8-,9-/m1/s1.
What are the key properties of (4S,5S)-2,2,4,5-tetramethyl-1,3-dioxolane-4,5-dicarboxylic acid?
(4S,5S)-2,2,4,5-tetramethyl-1,3-dioxolane-4,5-dicarboxylic acid has a molecular weight of 218.20 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-2,2,4,5-tetramethyl-1,3-dioxolane-4,5-dicarboxylic acid is sourced from PubChem (CID 45073516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).