tert-butyl-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(3-methyl-1,3-thiazol-3-ium-2-yl)methoxy]-dimethylsilane

C16H30NO3SSi+ — CID 10391004

IUPACtert-butyl-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(3-methyl-1,3-thiazol-3-ium-2-yl)methoxy]-dimethylsilane
SMILESC[n+]1ccsc1[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C16H30NO3SSi/c1-15(2,3)22(7,8)20-13(14-17(6)9-10-21-14)12-11-18-16(4,5)19-12/h9-10,12-13H,11H2,1-8H3/q+1/t12-,13-/m1/s1
InChIKeyZLDWHBDDOZBXMT-CHWSQXEVSA-N
MW344.57 g/mol
LogP3.79
Rot. Bonds4

About tert-butyl-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(3-methyl-1,3-thiazol-3-ium-2-yl)methoxy]-dimethylsilane

tert-butyl-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(3-methyl-1,3-thiazol-3-ium-2-yl)methoxy]-dimethylsilane (PubChem CID 10391004) has the molecular formula C16H30NO3SSi+ and a molecular weight of 344.57 g/mol. Its IUPAC name is tert-butyl-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(3-methyl-1,3-thiazol-3-ium-2-yl)methoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(3-methyl-1,3-thiazol-3-ium-2-yl)methoxy]-dimethylsilane
PubChem CID10391004
Molecular FormulaC16H30NO3SSi+
Molecular Weight344.57 g/mol
Exact Mass344.17
IUPAC Nametert-butyl-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(3-methyl-1,3-thiazol-3-ium-2-yl)methoxy]-dimethylsilane
SMILESC[n+]1ccsc1[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C16H30NO3SSi/c1-15(2,3)22(7,8)20-13(14-17(6)9-10-21-14)12-11-18-16(4,5)19-12/h9-10,12-13H,11H2,1-8H3/q+1/t12-,13-/m1/s1
InChIKeyZLDWHBDDOZBXMT-CHWSQXEVSA-N
XLogP3.79
TPSA31.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.57
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(3-methyl-1,3-thiazol-3-ium-2-yl)methoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(3-methyl-1,3-thiazol-3-ium-2-yl)methoxy]-dimethylsilane (CID 10391004) is tert-butyl-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(3-methyl-1,3-thiazol-3-ium-2-yl)methoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(3-methyl-1,3-thiazol-3-ium-2-yl)methoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(3-methyl-1,3-thiazol-3-ium-2-yl)methoxy]-dimethylsilane is C[n+]1ccsc1[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1COC(C)(C)O1.
What is the InChIKey of tert-butyl-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(3-methyl-1,3-thiazol-3-ium-2-yl)methoxy]-dimethylsilane?
The InChIKey is ZLDWHBDDOZBXMT-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H30NO3SSi/c1-15(2,3)22(7,8)20-13(14-17(6)9-10-21-14)12-11-18-16(4,5)19-12/h9-10,12-13H,11H2,1-8H3/q+1/t12-,13-/m1/s1.
What are the key properties of tert-butyl-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(3-methyl-1,3-thiazol-3-ium-2-yl)methoxy]-dimethylsilane?
tert-butyl-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(3-methyl-1,3-thiazol-3-ium-2-yl)methoxy]-dimethylsilane has a molecular weight of 344.57 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(R)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-(3-methyl-1,3-thiazol-3-ium-2-yl)methoxy]-dimethylsilane is sourced from PubChem (CID 10391004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).