tert-butyl-[(3S)-5,9-dimethyldec-8-en-3-yl]oxy-dimethylsilane

C18H38OSi — CID 142634019

IUPACtert-butyl-[(3S)-5,9-dimethyldec-8-en-3-yl]oxy-dimethylsilane
SMILESCC[C@@H](CC(C)CCC=C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38OSi/c1-10-17(19-20(8,9)18(5,6)7)14-16(4)13-11-12-15(2)3/h12,16-17H,10-11,13-14H2,1-9H3/t16?,17-/m0/s1
InChIKeyMFJYFRASFZHLEI-DJNXLDHESA-N
MW298.59 g/mol
LogP6.56
Rot. Bonds8

About tert-butyl-[(3S)-5,9-dimethyldec-8-en-3-yl]oxy-dimethylsilane

tert-butyl-[(3S)-5,9-dimethyldec-8-en-3-yl]oxy-dimethylsilane (PubChem CID 142634019) has the molecular formula C18H38OSi and a molecular weight of 298.59 g/mol. Its IUPAC name is tert-butyl-[(3S)-5,9-dimethyldec-8-en-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3S)-5,9-dimethyldec-8-en-3-yl]oxy-dimethylsilane
PubChem CID142634019
Molecular FormulaC18H38OSi
Molecular Weight298.59 g/mol
Exact Mass298.27
IUPAC Nametert-butyl-[(3S)-5,9-dimethyldec-8-en-3-yl]oxy-dimethylsilane
SMILESCC[C@@H](CC(C)CCC=C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38OSi/c1-10-17(19-20(8,9)18(5,6)7)14-16(4)13-11-12-15(2)3/h12,16-17H,10-11,13-14H2,1-9H3/t16?,17-/m0/s1
InChIKeyMFJYFRASFZHLEI-DJNXLDHESA-N
XLogP6.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.59
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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-[(3S)-5,9-dimethyldec-8-en-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3S)-5,9-dimethyldec-8-en-3-yl]oxy-dimethylsilane (CID 142634019) is tert-butyl-[(3S)-5,9-dimethyldec-8-en-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3S)-5,9-dimethyldec-8-en-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3S)-5,9-dimethyldec-8-en-3-yl]oxy-dimethylsilane is CC[C@@H](CC(C)CCC=C(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(3S)-5,9-dimethyldec-8-en-3-yl]oxy-dimethylsilane?
The InChIKey is MFJYFRASFZHLEI-DJNXLDHESA-N. The full InChI is InChI=1S/C18H38OSi/c1-10-17(19-20(8,9)18(5,6)7)14-16(4)13-11-12-15(2)3/h12,16-17H,10-11,13-14H2,1-9H3/t16?,17-/m0/s1.
What are the key properties of tert-butyl-[(3S)-5,9-dimethyldec-8-en-3-yl]oxy-dimethylsilane?
tert-butyl-[(3S)-5,9-dimethyldec-8-en-3-yl]oxy-dimethylsilane has a molecular weight of 298.59 g/mol, XLogP of 6.56, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3S)-5,9-dimethyldec-8-en-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 142634019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).