lithium (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate

C6H9LiO4 — CID 59785913

IUPAClithium (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
SMILESCC1(C)OC[C@@H](C(=O)[O-])O1.[Li+]
InChIInChI=1S/C6H10O4.Li/c1-6(2)9-3-4(10-6)5(7)8;/h4H,3H2,1-2H3,(H,7,8);/q;+1/p-1/t4-;/m0./s1
InChIKeyGCGLKGWYCNOQIT-WCCKRBBISA-M
MW152.07 g/mol
LogP-4.11
Rot. Bonds1

About lithium (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate

lithium (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate (PubChem CID 59785913) has the molecular formula C6H9LiO4 and a molecular weight of 152.07 g/mol. Its IUPAC name is lithium (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate.

Molecular Properties

Compound Namelithium (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
PubChem CID59785913
Molecular FormulaC6H9LiO4
Molecular Weight152.07 g/mol
Exact Mass152.07
IUPAC Namelithium (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
SMILESCC1(C)OC[C@@H](C(=O)[O-])O1.[Li+]
InChIInChI=1S/C6H10O4.Li/c1-6(2)9-3-4(10-6)5(7)8;/h4H,3H2,1-2H3,(H,7,8);/q;+1/p-1/t4-;/m0./s1
InChIKeyGCGLKGWYCNOQIT-WCCKRBBISA-M
XLogP-4.11
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.07
LogP ≤ 5-4.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of lithium (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate?
The IUPAC name of lithium (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate (CID 59785913) is lithium (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate.
What is the SMILES notation for lithium (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate?
The canonical SMILES for lithium (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate is CC1(C)OC[C@@H](C(=O)[O-])O1.[Li+].
What is the InChIKey of lithium (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate?
The InChIKey is GCGLKGWYCNOQIT-WCCKRBBISA-M. The full InChI is InChI=1S/C6H10O4.Li/c1-6(2)9-3-4(10-6)5(7)8;/h4H,3H2,1-2H3,(H,7,8);/q;+1/p-1/t4-;/m0./s1.
What are the key properties of lithium (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate?
lithium (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate has a molecular weight of 152.07 g/mol, XLogP of -4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (4S)-2,2-dimethyl-1,3-dioxolane-4-carboxylate is sourced from PubChem (CID 59785913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).