tert-butyl-dimethyl-[(E,5S)-4,4,7-trimethylundec-6-en-1,10-diyn-5-yl]oxysilane

C20H34OSi — CID 24755646

IUPACtert-butyl-dimethyl-[(E,5S)-4,4,7-trimethylundec-6-en-1,10-diyn-5-yl]oxysilane
SMILESC#CCC/C(C)=C/[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)CC#C
InChIInChI=1S/C20H34OSi/c1-11-13-14-17(3)16-18(20(7,8)15-12-2)21-22(9,10)19(4,5)6/h1-2,16,18H,13-15H2,3-10H3/b17-16+/t18-/m0/s1
InChIKeyYCDSABODHXVHBU-GVJQPLCZSA-N
MW318.58 g/mol
LogP5.79
Rot. Bonds7

About tert-butyl-dimethyl-[(E,5S)-4,4,7-trimethylundec-6-en-1,10-diyn-5-yl]oxysilane

tert-butyl-dimethyl-[(E,5S)-4,4,7-trimethylundec-6-en-1,10-diyn-5-yl]oxysilane (PubChem CID 24755646) has the molecular formula C20H34OSi and a molecular weight of 318.58 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(E,5S)-4,4,7-trimethylundec-6-en-1,10-diyn-5-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(E,5S)-4,4,7-trimethylundec-6-en-1,10-diyn-5-yl]oxysilane
PubChem CID24755646
Molecular FormulaC20H34OSi
Molecular Weight318.58 g/mol
Exact Mass318.24
IUPAC Nametert-butyl-dimethyl-[(E,5S)-4,4,7-trimethylundec-6-en-1,10-diyn-5-yl]oxysilane
SMILESC#CCC/C(C)=C/[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)CC#C
InChIInChI=1S/C20H34OSi/c1-11-13-14-17(3)16-18(20(7,8)15-12-2)21-22(9,10)19(4,5)6/h1-2,16,18H,13-15H2,3-10H3/b17-16+/t18-/m0/s1
InChIKeyYCDSABODHXVHBU-GVJQPLCZSA-N
XLogP5.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.58
LogP ≤ 55.79
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

[(3S,4R,5E)-2,3-dimethylocta-1,5-dien-7-yn-4-yl]oxy-tri(propan-2-yl)silane
CID 11771207
Tert-butyl-dimethyl-(2-methyloct-2-en-7-yn-4-yloxy)silane
CID 13789160
[(2Z,5E)-6,10-dimethyl-2-pent-4-ynylideneundeca-5,9-dienoxy]-tri(propan-2-yl)silane
CID 44238355
tert-butyl-[(2E)-3,7-dimethylundeca-2,6-dien-10-ynoxy]-dimethylsilane
CID 134866067
tri(propan-2-yl)-[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-yn-4-yl]oxysilane
CID 134875143
tert-butyl-[(E)-5,5-dimethyloct-2-en-7-ynoxy]-dimethylsilane
CID 134897780
tert-butyl-[(2S,3R)-3-ethynyl-6-methylhept-5-en-2-yl]oxy-dimethylsilane
CID 134967775
triethyl-[(Z,4S,5R)-4-ethyl-5-methoxy-2-methylhept-2-en-6-ynoxy]silane
CID 173609871
triethyl-[(E,4S,5R)-4-ethyl-2,5-dimethylhept-2-en-6-ynoxy]silane
CID 173609872
triethyl-[(Z,4R,5S)-4-ethyl-5-methoxy-2-methylhept-2-en-6-ynoxy]silane
CID 173609873
triethyl-[(E,4S,5R)-4-ethyl-5-methoxy-2-methylhept-2-en-6-ynoxy]silane
CID 173609876
triethyl-[(E,4R)-4-ethyl-2-methylhept-2-en-6-ynoxy]silane
CID 173609884

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(E,5S)-4,4,7-trimethylundec-6-en-1,10-diyn-5-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(E,5S)-4,4,7-trimethylundec-6-en-1,10-diyn-5-yl]oxysilane (CID 24755646) is tert-butyl-dimethyl-[(E,5S)-4,4,7-trimethylundec-6-en-1,10-diyn-5-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(E,5S)-4,4,7-trimethylundec-6-en-1,10-diyn-5-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(E,5S)-4,4,7-trimethylundec-6-en-1,10-diyn-5-yl]oxysilane is C#CCC/C(C)=C/[C@H](O[Si](C)(C)C(C)(C)C)C(C)(C)CC#C.
What is the InChIKey of tert-butyl-dimethyl-[(E,5S)-4,4,7-trimethylundec-6-en-1,10-diyn-5-yl]oxysilane?
The InChIKey is YCDSABODHXVHBU-GVJQPLCZSA-N. The full InChI is InChI=1S/C20H34OSi/c1-11-13-14-17(3)16-18(20(7,8)15-12-2)21-22(9,10)19(4,5)6/h1-2,16,18H,13-15H2,3-10H3/b17-16+/t18-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(E,5S)-4,4,7-trimethylundec-6-en-1,10-diyn-5-yl]oxysilane?
tert-butyl-dimethyl-[(E,5S)-4,4,7-trimethylundec-6-en-1,10-diyn-5-yl]oxysilane has a molecular weight of 318.58 g/mol, XLogP of 5.79, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(E,5S)-4,4,7-trimethylundec-6-en-1,10-diyn-5-yl]oxysilane is sourced from PubChem (CID 24755646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).