tert-butyl-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-1-en-7-yn-3-yl]oxy-dimethylsilane

C21H42O2Si2 — CID 91038666

IUPACtert-butyl-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-1-en-7-yn-3-yl]oxy-dimethylsilane
SMILESC#CC[C@@](C)(CC(C=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42O2Si2/c1-14-16-21(9,23-25(12,13)20(6,7)8)17-18(15-2)22-24(10,11)19(3,4)5/h1,15,18H,2,16-17H2,3-13H3/t18?,21-/m0/s1
InChIKeyLACJWUFNXSJRJQ-ZYZRXSCRSA-N
MW382.74 g/mol
LogP6.76
Rot. Bonds8

About tert-butyl-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-1-en-7-yn-3-yl]oxy-dimethylsilane

tert-butyl-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-1-en-7-yn-3-yl]oxy-dimethylsilane (PubChem CID 91038666) has the molecular formula C21H42O2Si2 and a molecular weight of 382.74 g/mol. Its IUPAC name is tert-butyl-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-1-en-7-yn-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-1-en-7-yn-3-yl]oxy-dimethylsilane
PubChem CID91038666
Molecular FormulaC21H42O2Si2
Molecular Weight382.74 g/mol
Exact Mass382.27
IUPAC Nametert-butyl-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-1-en-7-yn-3-yl]oxy-dimethylsilane
SMILESC#CC[C@@](C)(CC(C=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42O2Si2/c1-14-16-21(9,23-25(12,13)20(6,7)8)17-18(15-2)22-24(10,11)19(3,4)5/h1,15,18H,2,16-17H2,3-13H3/t18?,21-/m0/s1
InChIKeyLACJWUFNXSJRJQ-ZYZRXSCRSA-N
XLogP6.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.74
LogP ≤ 56.76
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-dimethyl-(6-methylidenedec-1-en-9-yn-3-yloxy)silane
CID 139252745
tert-butyl-hex-1-en-3-yloxy-dimethylsilane
CID 11206678
(5S)-5-[tert-butyl(dimethyl)silyl]oxyhepta-1,6-dien-3-ol
CID 11499712
5-[tert-butyl(dimethyl)silyl]oxyhepta-1,6-dien-3-ol
CID 72985598
tert-butyl-dimethyl-[(2S,3R)-3-prop-2-ynoxypent-4-en-2-yl]oxysilane
CID 11299800
tert-butyl-(4,4-dimethylpent-1-en-3-yloxy)-dimethylsilane
CID 14644027
(2E)-5-[tert-butyl(dimethyl)silyl]oxyhepta-2,6-dienal
CID 101352532
ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 15382070
(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-phenyl-2-prop-2-ynylpent-4-enoic acid
CID 101496168
tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]carbamate
CID 156749640
dimethyl 2-[2-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]propanedioate
CID 11573263
tert-butyl-dimethyl-pent-4-yn-2-yloxysilane
CID 588048

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-1-en-7-yn-3-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-1-en-7-yn-3-yl]oxy-dimethylsilane (CID 91038666) is tert-butyl-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-1-en-7-yn-3-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-1-en-7-yn-3-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-1-en-7-yn-3-yl]oxy-dimethylsilane is C#CC[C@@](C)(CC(C=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-1-en-7-yn-3-yl]oxy-dimethylsilane?
The InChIKey is LACJWUFNXSJRJQ-ZYZRXSCRSA-N. The full InChI is InChI=1S/C21H42O2Si2/c1-14-16-21(9,23-25(12,13)20(6,7)8)17-18(15-2)22-24(10,11)19(3,4)5/h1,15,18H,2,16-17H2,3-13H3/t18?,21-/m0/s1.
What are the key properties of tert-butyl-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-1-en-7-yn-3-yl]oxy-dimethylsilane?
tert-butyl-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-1-en-7-yn-3-yl]oxy-dimethylsilane has a molecular weight of 382.74 g/mol, XLogP of 6.76, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-methyloct-1-en-7-yn-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 91038666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).