lithium (2R,4S,5S,6R)-4-[(2S,4R,5S)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-6-[(2S)-propan-2-yl]-1,3-dioxane

C16H29LiO4 — CID 135050689

IUPAClithium (2R,4S,5S,6R)-4-[(2S,4R,5S)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-6-[(2S)-propan-2-yl]-1,3-dioxane
SMILES[CH2-][C@@H](C)[C@H]1O[C@@H](C)O[C@H]([C@]2(C)O[C@@H](C)O[C@H]2CC)[C@H]1C.[Li+]
InChIInChI=1S/C16H29O4.Li/c1-8-13-16(7,20-12(6)17-13)15-10(4)14(9(2)3)18-11(5)19-15;/h9-15H,2,8H2,1,3-7H3;/q-1;+1/t9-,10-,11+,12-,13-,14+,15-,16+;/m0./s1
InChIKeyFVKYODIOKIAHQA-VBQXTMSQSA-N
MW292.34 g/mol
LogP0.16
Rot. Bonds3

About lithium (2R,4S,5S,6R)-4-[(2S,4R,5S)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-6-[(2S)-propan-2-yl]-1,3-dioxane

lithium (2R,4S,5S,6R)-4-[(2S,4R,5S)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-6-[(2S)-propan-2-yl]-1,3-dioxane (PubChem CID 135050689) has the molecular formula C16H29LiO4 and a molecular weight of 292.34 g/mol. Its IUPAC name is lithium (2R,4S,5S,6R)-4-[(2S,4R,5S)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-6-[(2S)-propan-2-yl]-1,3-dioxane.

Molecular Properties

Compound Namelithium (2R,4S,5S,6R)-4-[(2S,4R,5S)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-6-[(2S)-propan-2-yl]-1,3-dioxane
PubChem CID135050689
Molecular FormulaC16H29LiO4
Molecular Weight292.34 g/mol
Exact Mass292.22
IUPAC Namelithium (2R,4S,5S,6R)-4-[(2S,4R,5S)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-6-[(2S)-propan-2-yl]-1,3-dioxane
SMILES[CH2-][C@@H](C)[C@H]1O[C@@H](C)O[C@H]([C@]2(C)O[C@@H](C)O[C@H]2CC)[C@H]1C.[Li+]
InChIInChI=1S/C16H29O4.Li/c1-8-13-16(7,20-12(6)17-13)15-10(4)14(9(2)3)18-11(5)19-15;/h9-15H,2,8H2,1,3-7H3;/q-1;+1/t9-,10-,11+,12-,13-,14+,15-,16+;/m0./s1
InChIKeyFVKYODIOKIAHQA-VBQXTMSQSA-N
XLogP0.16
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze lithium (2R,4S,5S,6R)-4-[(2S,4R,5S)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-6-[(2S)-propan-2-yl]-1,3-dioxane with MolForge

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Frequently Asked Questions

What is the IUPAC name of lithium (2R,4S,5S,6R)-4-[(2S,4R,5S)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-6-[(2S)-propan-2-yl]-1,3-dioxane?
The IUPAC name of lithium (2R,4S,5S,6R)-4-[(2S,4R,5S)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-6-[(2S)-propan-2-yl]-1,3-dioxane (CID 135050689) is lithium (2R,4S,5S,6R)-4-[(2S,4R,5S)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-6-[(2S)-propan-2-yl]-1,3-dioxane.
What is the SMILES notation for lithium (2R,4S,5S,6R)-4-[(2S,4R,5S)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-6-[(2S)-propan-2-yl]-1,3-dioxane?
The canonical SMILES for lithium (2R,4S,5S,6R)-4-[(2S,4R,5S)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-6-[(2S)-propan-2-yl]-1,3-dioxane is [CH2-][C@@H](C)[C@H]1O[C@@H](C)O[C@H]([C@]2(C)O[C@@H](C)O[C@H]2CC)[C@H]1C.[Li+].
What is the InChIKey of lithium (2R,4S,5S,6R)-4-[(2S,4R,5S)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-6-[(2S)-propan-2-yl]-1,3-dioxane?
The InChIKey is FVKYODIOKIAHQA-VBQXTMSQSA-N. The full InChI is InChI=1S/C16H29O4.Li/c1-8-13-16(7,20-12(6)17-13)15-10(4)14(9(2)3)18-11(5)19-15;/h9-15H,2,8H2,1,3-7H3;/q-1;+1/t9-,10-,11+,12-,13-,14+,15-,16+;/m0./s1.
What are the key properties of lithium (2R,4S,5S,6R)-4-[(2S,4R,5S)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-6-[(2S)-propan-2-yl]-1,3-dioxane?
lithium (2R,4S,5S,6R)-4-[(2S,4R,5S)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-6-[(2S)-propan-2-yl]-1,3-dioxane has a molecular weight of 292.34 g/mol, XLogP of 0.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (2R,4S,5S,6R)-4-[(2S,4R,5S)-5-ethyl-2,4-dimethyl-1,3-dioxolan-4-yl]-2,5-dimethyl-6-[(2S)-propan-2-yl]-1,3-dioxane is sourced from PubChem (CID 135050689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).