sodium (4S)-2,2,5,5-tetramethyl-1,3-dioxolane-4-carboxylate

C8H13NaO4 — CID 141173808

IUPACsodium (4S)-2,2,5,5-tetramethyl-1,3-dioxolane-4-carboxylate
SMILESCC1(C)O[C@H](C(=O)[O-])C(C)(C)O1.[Na+]
InChIInChI=1S/C8H14O4.Na/c1-7(2)5(6(9)10)11-8(3,4)12-7;/h5H,1-4H3,(H,9,10);/q;+1/p-1/t5-;/m1./s1
InChIKeyVMFIYPJITZLBDM-NUBCRITNSA-M
MW196.18 g/mol
LogP-3.33
Rot. Bonds1

About sodium (4S)-2,2,5,5-tetramethyl-1,3-dioxolane-4-carboxylate

sodium (4S)-2,2,5,5-tetramethyl-1,3-dioxolane-4-carboxylate (PubChem CID 141173808) has the molecular formula C8H13NaO4 and a molecular weight of 196.18 g/mol. Its IUPAC name is sodium (4S)-2,2,5,5-tetramethyl-1,3-dioxolane-4-carboxylate.

Molecular Properties

Compound Namesodium (4S)-2,2,5,5-tetramethyl-1,3-dioxolane-4-carboxylate
PubChem CID141173808
Molecular FormulaC8H13NaO4
Molecular Weight196.18 g/mol
Exact Mass196.07
IUPAC Namesodium (4S)-2,2,5,5-tetramethyl-1,3-dioxolane-4-carboxylate
SMILESCC1(C)O[C@H](C(=O)[O-])C(C)(C)O1.[Na+]
InChIInChI=1S/C8H14O4.Na/c1-7(2)5(6(9)10)11-8(3,4)12-7;/h5H,1-4H3,(H,9,10);/q;+1/p-1/t5-;/m1./s1
InChIKeyVMFIYPJITZLBDM-NUBCRITNSA-M
XLogP-3.33
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 5-3.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze sodium (4S)-2,2,5,5-tetramethyl-1,3-dioxolane-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of sodium (4S)-2,2,5,5-tetramethyl-1,3-dioxolane-4-carboxylate?
The IUPAC name of sodium (4S)-2,2,5,5-tetramethyl-1,3-dioxolane-4-carboxylate (CID 141173808) is sodium (4S)-2,2,5,5-tetramethyl-1,3-dioxolane-4-carboxylate.
What is the SMILES notation for sodium (4S)-2,2,5,5-tetramethyl-1,3-dioxolane-4-carboxylate?
The canonical SMILES for sodium (4S)-2,2,5,5-tetramethyl-1,3-dioxolane-4-carboxylate is CC1(C)O[C@H](C(=O)[O-])C(C)(C)O1.[Na+].
What is the InChIKey of sodium (4S)-2,2,5,5-tetramethyl-1,3-dioxolane-4-carboxylate?
The InChIKey is VMFIYPJITZLBDM-NUBCRITNSA-M. The full InChI is InChI=1S/C8H14O4.Na/c1-7(2)5(6(9)10)11-8(3,4)12-7;/h5H,1-4H3,(H,9,10);/q;+1/p-1/t5-;/m1./s1.
What are the key properties of sodium (4S)-2,2,5,5-tetramethyl-1,3-dioxolane-4-carboxylate?
sodium (4S)-2,2,5,5-tetramethyl-1,3-dioxolane-4-carboxylate has a molecular weight of 196.18 g/mol, XLogP of -3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (4S)-2,2,5,5-tetramethyl-1,3-dioxolane-4-carboxylate is sourced from PubChem (CID 141173808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).