[(R)-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methoxy]-trimethylsilane

C26H49NO3SSi — CID 10345209

IUPAC[(R)-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methoxy]-trimethylsilane
SMILESCCCCCCCCCCCCCC[C@H]1OC(C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)c1nccs1
InChIInChI=1S/C26H49NO3SSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-22-23(29-26(2,3)28-22)24(30-32(4,5)6)25-27-20-21-31-25/h20-24H,7-19H2,1-6H3/t22-,23-,24-/m1/s1
InChIKeyUMLMMGXRJQOUPI-WXFUMESZSA-N
MW483.84 g/mol
LogP8.65
Rot. Bonds17

About [(R)-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methoxy]-trimethylsilane

[(R)-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methoxy]-trimethylsilane (PubChem CID 10345209) has the molecular formula C26H49NO3SSi and a molecular weight of 483.84 g/mol. Its IUPAC name is [(R)-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methoxy]-trimethylsilane.

Molecular Properties

Compound Name[(R)-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methoxy]-trimethylsilane
PubChem CID10345209
Molecular FormulaC26H49NO3SSi
Molecular Weight483.84 g/mol
Exact Mass483.32
IUPAC Name[(R)-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methoxy]-trimethylsilane
SMILESCCCCCCCCCCCCCC[C@H]1OC(C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)c1nccs1
InChIInChI=1S/C26H49NO3SSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-22-23(29-26(2,3)28-22)24(30-32(4,5)6)25-27-20-21-31-25/h20-24H,7-19H2,1-6H3/t22-,23-,24-/m1/s1
InChIKeyUMLMMGXRJQOUPI-WXFUMESZSA-N
XLogP8.65
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.84
LogP ≤ 58.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(R)-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methoxy]-trimethylsilane?
The IUPAC name of [(R)-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methoxy]-trimethylsilane (CID 10345209) is [(R)-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methoxy]-trimethylsilane.
What is the SMILES notation for [(R)-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methoxy]-trimethylsilane?
The canonical SMILES for [(R)-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methoxy]-trimethylsilane is CCCCCCCCCCCCCC[C@H]1OC(C)(C)O[C@H]1[C@@H](O[Si](C)(C)C)c1nccs1.
What is the InChIKey of [(R)-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methoxy]-trimethylsilane?
The InChIKey is UMLMMGXRJQOUPI-WXFUMESZSA-N. The full InChI is InChI=1S/C26H49NO3SSi/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-22-23(29-26(2,3)28-22)24(30-32(4,5)6)25-27-20-21-31-25/h20-24H,7-19H2,1-6H3/t22-,23-,24-/m1/s1.
What are the key properties of [(R)-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methoxy]-trimethylsilane?
[(R)-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methoxy]-trimethylsilane has a molecular weight of 483.84 g/mol, XLogP of 8.65, 17 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(R)-[(4R,5R)-2,2-dimethyl-5-tetradecyl-1,3-dioxolan-4-yl]-(1,3-thiazol-2-yl)methoxy]-trimethylsilane is sourced from PubChem (CID 10345209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).