tert-butyl-[(4S,5R,6R,7S)-6-methoxy-5,7-dimethylnon-1-en-4-yl]oxy-dimethylsilane

C18H38O2Si — CID 102142958

IUPACtert-butyl-[(4S,5R,6R,7S)-6-methoxy-5,7-dimethylnon-1-en-4-yl]oxy-dimethylsilane
SMILESC=CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](OC)[C@@H](C)CC
InChIInChI=1S/C18H38O2Si/c1-11-13-16(20-21(9,10)18(5,6)7)15(4)17(19-8)14(3)12-2/h11,14-17H,1,12-13H2,2-10H3/t14-,15-,16-,17+/m0/s1
InChIKeyBSJSMMHVSOTMMR-LUKYLMHMSA-N
MW314.59 g/mol
LogP5.65
Rot. Bonds9

About tert-butyl-[(4S,5R,6R,7S)-6-methoxy-5,7-dimethylnon-1-en-4-yl]oxy-dimethylsilane

tert-butyl-[(4S,5R,6R,7S)-6-methoxy-5,7-dimethylnon-1-en-4-yl]oxy-dimethylsilane (PubChem CID 102142958) has the molecular formula C18H38O2Si and a molecular weight of 314.59 g/mol. Its IUPAC name is tert-butyl-[(4S,5R,6R,7S)-6-methoxy-5,7-dimethylnon-1-en-4-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(4S,5R,6R,7S)-6-methoxy-5,7-dimethylnon-1-en-4-yl]oxy-dimethylsilane
PubChem CID102142958
Molecular FormulaC18H38O2Si
Molecular Weight314.59 g/mol
Exact Mass314.26
IUPAC Nametert-butyl-[(4S,5R,6R,7S)-6-methoxy-5,7-dimethylnon-1-en-4-yl]oxy-dimethylsilane
SMILESC=CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](OC)[C@@H](C)CC
InChIInChI=1S/C18H38O2Si/c1-11-13-16(20-21(9,10)18(5,6)7)15(4)17(19-8)14(3)12-2/h11,14-17H,1,12-13H2,2-10H3/t14-,15-,16-,17+/m0/s1
InChIKeyBSJSMMHVSOTMMR-LUKYLMHMSA-N
XLogP5.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.59
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[(4S,5R,6R,7S)-6-methoxy-5,7-dimethylnon-1-en-4-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(4S,5R,6R,7S)-6-methoxy-5,7-dimethylnon-1-en-4-yl]oxy-dimethylsilane (CID 102142958) is tert-butyl-[(4S,5R,6R,7S)-6-methoxy-5,7-dimethylnon-1-en-4-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(4S,5R,6R,7S)-6-methoxy-5,7-dimethylnon-1-en-4-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(4S,5R,6R,7S)-6-methoxy-5,7-dimethylnon-1-en-4-yl]oxy-dimethylsilane is C=CC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](C)[C@H](OC)[C@@H](C)CC.
What is the InChIKey of tert-butyl-[(4S,5R,6R,7S)-6-methoxy-5,7-dimethylnon-1-en-4-yl]oxy-dimethylsilane?
The InChIKey is BSJSMMHVSOTMMR-LUKYLMHMSA-N. The full InChI is InChI=1S/C18H38O2Si/c1-11-13-16(20-21(9,10)18(5,6)7)15(4)17(19-8)14(3)12-2/h11,14-17H,1,12-13H2,2-10H3/t14-,15-,16-,17+/m0/s1.
What are the key properties of tert-butyl-[(4S,5R,6R,7S)-6-methoxy-5,7-dimethylnon-1-en-4-yl]oxy-dimethylsilane?
tert-butyl-[(4S,5R,6R,7S)-6-methoxy-5,7-dimethylnon-1-en-4-yl]oxy-dimethylsilane has a molecular weight of 314.59 g/mol, XLogP of 5.65, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4S,5R,6R,7S)-6-methoxy-5,7-dimethylnon-1-en-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 102142958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).