tert-butyl-[(4S,6S,9R)-4-(methoxymethoxy)-9-methyldodec-11-en-6-yl]oxy-dimethylsilane

C21H44O3Si — CID 135015253

IUPACtert-butyl-[(4S,6S,9R)-4-(methoxymethoxy)-9-methyldodec-11-en-6-yl]oxy-dimethylsilane
SMILESC=CC[C@H](C)CC[C@@H](C[C@H](CCC)OCOC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H44O3Si/c1-10-12-18(3)14-15-20(24-25(8,9)21(4,5)6)16-19(13-11-2)23-17-22-7/h10,18-20H,1,11-17H2,2-9H3/t18-,19-,20-/m0/s1
InChIKeyIGYSRGIMVWHRJF-UFYCRDLUSA-N
MW372.67 g/mol
LogP6.55
Rot. Bonds14

About tert-butyl-[(4S,6S,9R)-4-(methoxymethoxy)-9-methyldodec-11-en-6-yl]oxy-dimethylsilane

tert-butyl-[(4S,6S,9R)-4-(methoxymethoxy)-9-methyldodec-11-en-6-yl]oxy-dimethylsilane (PubChem CID 135015253) has the molecular formula C21H44O3Si and a molecular weight of 372.67 g/mol. Its IUPAC name is tert-butyl-[(4S,6S,9R)-4-(methoxymethoxy)-9-methyldodec-11-en-6-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(4S,6S,9R)-4-(methoxymethoxy)-9-methyldodec-11-en-6-yl]oxy-dimethylsilane
PubChem CID135015253
Molecular FormulaC21H44O3Si
Molecular Weight372.67 g/mol
Exact Mass372.31
IUPAC Nametert-butyl-[(4S,6S,9R)-4-(methoxymethoxy)-9-methyldodec-11-en-6-yl]oxy-dimethylsilane
SMILESC=CC[C@H](C)CC[C@@H](C[C@H](CCC)OCOC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H44O3Si/c1-10-12-18(3)14-15-20(24-25(8,9)21(4,5)6)16-19(13-11-2)23-17-22-7/h10,18-20H,1,11-17H2,2-9H3/t18-,19-,20-/m0/s1
InChIKeyIGYSRGIMVWHRJF-UFYCRDLUSA-N
XLogP6.55
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.67
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(4S,6S,9R)-4-(methoxymethoxy)-9-methyldodec-11-en-6-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(4S,6S,9R)-4-(methoxymethoxy)-9-methyldodec-11-en-6-yl]oxy-dimethylsilane (CID 135015253) is tert-butyl-[(4S,6S,9R)-4-(methoxymethoxy)-9-methyldodec-11-en-6-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(4S,6S,9R)-4-(methoxymethoxy)-9-methyldodec-11-en-6-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(4S,6S,9R)-4-(methoxymethoxy)-9-methyldodec-11-en-6-yl]oxy-dimethylsilane is C=CC[C@H](C)CC[C@@H](C[C@H](CCC)OCOC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(4S,6S,9R)-4-(methoxymethoxy)-9-methyldodec-11-en-6-yl]oxy-dimethylsilane?
The InChIKey is IGYSRGIMVWHRJF-UFYCRDLUSA-N. The full InChI is InChI=1S/C21H44O3Si/c1-10-12-18(3)14-15-20(24-25(8,9)21(4,5)6)16-19(13-11-2)23-17-22-7/h10,18-20H,1,11-17H2,2-9H3/t18-,19-,20-/m0/s1.
What are the key properties of tert-butyl-[(4S,6S,9R)-4-(methoxymethoxy)-9-methyldodec-11-en-6-yl]oxy-dimethylsilane?
tert-butyl-[(4S,6S,9R)-4-(methoxymethoxy)-9-methyldodec-11-en-6-yl]oxy-dimethylsilane has a molecular weight of 372.67 g/mol, XLogP of 6.55, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4S,6S,9R)-4-(methoxymethoxy)-9-methyldodec-11-en-6-yl]oxy-dimethylsilane is sourced from PubChem (CID 135015253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).