tert-butyl-[(4S)-4,8-dimethyl-1-trimethylsilylnon-7-en-1-yn-4-yl]oxy-dimethylsilane

C20H40OSi2 — CID 11710082

IUPACtert-butyl-[(4S)-4,8-dimethyl-1-trimethylsilylnon-7-en-1-yn-4-yl]oxy-dimethylsilane
SMILESCC(C)=CCC[C@@](C)(CC#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40OSi2/c1-18(2)14-12-15-20(6,16-13-17-22(7,8)9)21-23(10,11)19(3,4)5/h14H,12,15-16H2,1-11H3/t20-/m0/s1
InChIKeyGCNWNIPEDWGYRD-FQEVSTJZSA-N
MW352.71 g/mol
LogP6.78
Rot. Bonds6

About tert-butyl-[(4S)-4,8-dimethyl-1-trimethylsilylnon-7-en-1-yn-4-yl]oxy-dimethylsilane

tert-butyl-[(4S)-4,8-dimethyl-1-trimethylsilylnon-7-en-1-yn-4-yl]oxy-dimethylsilane (PubChem CID 11710082) has the molecular formula C20H40OSi2 and a molecular weight of 352.71 g/mol. Its IUPAC name is tert-butyl-[(4S)-4,8-dimethyl-1-trimethylsilylnon-7-en-1-yn-4-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(4S)-4,8-dimethyl-1-trimethylsilylnon-7-en-1-yn-4-yl]oxy-dimethylsilane
PubChem CID11710082
Molecular FormulaC20H40OSi2
Molecular Weight352.71 g/mol
Exact Mass352.26
IUPAC Nametert-butyl-[(4S)-4,8-dimethyl-1-trimethylsilylnon-7-en-1-yn-4-yl]oxy-dimethylsilane
SMILESCC(C)=CCC[C@@](C)(CC#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40OSi2/c1-18(2)14-12-15-20(6,16-13-17-22(7,8)9)21-23(10,11)19(3,4)5/h14H,12,15-16H2,1-11H3/t20-/m0/s1
InChIKeyGCNWNIPEDWGYRD-FQEVSTJZSA-N
XLogP6.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.71
LogP ≤ 56.78
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z)-7-but-3-enylhexadec-14-en-1,5,10-triyn-7-yl]oxy-tert-butyl-dimethylsilane
CID 10786952
trimethyl-[2-[(1R,6R)-4-methyl-6-[2-tri(propan-2-yl)silyloxyethynyl]cyclohex-3-en-1-yl]propan-2-yloxy]silane
CID 14060264
Tert-butyl-(2,4-dimethyloct-2-en-7-yn-4-yloxy)-dimethylsilane
CID 14911453
triethyl-[(9E)-5-prop-1-ynylundeca-1,9-dien-5-yl]oxysilane
CID 14936192
triethyl-[(6S)-5-ethynyl-6,10-dimethylundeca-1,9-dien-5-yl]oxysilane
CID 101571970
triethyl-[(9Z)-6-prop-1-ynyldodeca-1,9-dien-6-yl]oxysilane
CID 101673816
Tert-butyl-(5,9-dimethyldec-8-en-2-ynoxy)-dimethylsilane
CID 154719685
[(Z,7S)-7-but-3-enylhexadec-14-en-1,5,10-triyn-7-yl]oxy-tert-butyl-dimethylsilane
CID 176431397
3,7-Dimethyloct-6-en-3-yloxy(trimethyl)silane
CID 59602013
[(3S)-3,7-dimethyloct-6-en-1-yn-3-yl]oxy-triethylsilane
CID 87404967
3,7-Dimethyloct-6-en-1-yn-3-yloxy(triethyl)silane
CID 87404968
triethyl-[(E)-3-ethyloct-6-en-3-yl]oxysilane
CID 141024343

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(4S)-4,8-dimethyl-1-trimethylsilylnon-7-en-1-yn-4-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(4S)-4,8-dimethyl-1-trimethylsilylnon-7-en-1-yn-4-yl]oxy-dimethylsilane (CID 11710082) is tert-butyl-[(4S)-4,8-dimethyl-1-trimethylsilylnon-7-en-1-yn-4-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(4S)-4,8-dimethyl-1-trimethylsilylnon-7-en-1-yn-4-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(4S)-4,8-dimethyl-1-trimethylsilylnon-7-en-1-yn-4-yl]oxy-dimethylsilane is CC(C)=CCC[C@@](C)(CC#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(4S)-4,8-dimethyl-1-trimethylsilylnon-7-en-1-yn-4-yl]oxy-dimethylsilane?
The InChIKey is GCNWNIPEDWGYRD-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H40OSi2/c1-18(2)14-12-15-20(6,16-13-17-22(7,8)9)21-23(10,11)19(3,4)5/h14H,12,15-16H2,1-11H3/t20-/m0/s1.
What are the key properties of tert-butyl-[(4S)-4,8-dimethyl-1-trimethylsilylnon-7-en-1-yn-4-yl]oxy-dimethylsilane?
tert-butyl-[(4S)-4,8-dimethyl-1-trimethylsilylnon-7-en-1-yn-4-yl]oxy-dimethylsilane has a molecular weight of 352.71 g/mol, XLogP of 6.78, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4S)-4,8-dimethyl-1-trimethylsilylnon-7-en-1-yn-4-yl]oxy-dimethylsilane is sourced from PubChem (CID 11710082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).