tert-butyl-[(2S,3R)-2-decan-2-yloxan-3-yl]oxy-dimethylsilane

C21H44O2Si — CID 57021561

IUPACtert-butyl-[(2S,3R)-2-decan-2-yloxan-3-yl]oxy-dimethylsilane
SMILESCCCCCCCCC(C)[C@@H]1OCCC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H44O2Si/c1-8-9-10-11-12-13-15-18(2)20-19(16-14-17-22-20)23-24(6,7)21(3,4)5/h18-20H,8-17H2,1-7H3/t18?,19-,20+/m1/s1
InChIKeyARJXOYKYOCYYLX-HUSUDBNBSA-N
MW356.67 g/mol
LogP6.94
Rot. Bonds10

About tert-butyl-[(2S,3R)-2-decan-2-yloxan-3-yl]oxy-dimethylsilane

tert-butyl-[(2S,3R)-2-decan-2-yloxan-3-yl]oxy-dimethylsilane (PubChem CID 57021561) has the molecular formula C21H44O2Si and a molecular weight of 356.67 g/mol. Its IUPAC name is tert-butyl-[(2S,3R)-2-decan-2-yloxan-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S,3R)-2-decan-2-yloxan-3-yl]oxy-dimethylsilane
PubChem CID57021561
Molecular FormulaC21H44O2Si
Molecular Weight356.67 g/mol
Exact Mass356.31
IUPAC Nametert-butyl-[(2S,3R)-2-decan-2-yloxan-3-yl]oxy-dimethylsilane
SMILESCCCCCCCCC(C)[C@@H]1OCCC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H44O2Si/c1-8-9-10-11-12-13-15-18(2)20-19(16-14-17-22-20)23-24(6,7)21(3,4)5/h18-20H,8-17H2,1-7H3/t18?,19-,20+/m1/s1
InChIKeyARJXOYKYOCYYLX-HUSUDBNBSA-N
XLogP6.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.67
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 tert-butyl-[(2S,3R)-2-decan-2-yloxan-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(2S,3R)-2-decan-2-yloxan-3-yl]oxy-dimethylsilane (CID 57021561) is tert-butyl-[(2S,3R)-2-decan-2-yloxan-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2S,3R)-2-decan-2-yloxan-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(2S,3R)-2-decan-2-yloxan-3-yl]oxy-dimethylsilane is CCCCCCCCC(C)[C@@H]1OCCC[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2S,3R)-2-decan-2-yloxan-3-yl]oxy-dimethylsilane?
The InChIKey is ARJXOYKYOCYYLX-HUSUDBNBSA-N. The full InChI is InChI=1S/C21H44O2Si/c1-8-9-10-11-12-13-15-18(2)20-19(16-14-17-22-20)23-24(6,7)21(3,4)5/h18-20H,8-17H2,1-7H3/t18?,19-,20+/m1/s1.
What are the key properties of tert-butyl-[(2S,3R)-2-decan-2-yloxan-3-yl]oxy-dimethylsilane?
tert-butyl-[(2S,3R)-2-decan-2-yloxan-3-yl]oxy-dimethylsilane has a molecular weight of 356.67 g/mol, XLogP of 6.94, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S,3R)-2-decan-2-yloxan-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 57021561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).