tert-butyl-dimethyl-[(Z,1S,2S)-1-pentyl-3-trimethylsilyl-2-tri(propan-2-yl)silyloxyoct-3-enoxy]silane

C31H68O2Si3 — CID 101415913

IUPACtert-butyl-dimethyl-[(Z,1S,2S)-1-pentyl-3-trimethylsilyl-2-tri(propan-2-yl)silyloxyoct-3-enoxy]silane
SMILESCCCC/C=C(/[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](CCCCC)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C31H68O2Si3/c1-17-19-21-23-28(32-35(15,16)31(9,10)11)30(29(34(12,13)14)24-22-20-18-2)33-36(25(3)4,26(5)6)27(7)8/h24-28,30H,17-23H2,1-16H3/b29-24-/t28-,30-/m0/s1
InChIKeyGKCKCEGAUWPDFZ-NCWZPUEPSA-N
MW557.14 g/mol
LogP11.51
Rot. Bonds17

About tert-butyl-dimethyl-[(Z,1S,2S)-1-pentyl-3-trimethylsilyl-2-tri(propan-2-yl)silyloxyoct-3-enoxy]silane

tert-butyl-dimethyl-[(Z,1S,2S)-1-pentyl-3-trimethylsilyl-2-tri(propan-2-yl)silyloxyoct-3-enoxy]silane (PubChem CID 101415913) has the molecular formula C31H68O2Si3 and a molecular weight of 557.14 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(Z,1S,2S)-1-pentyl-3-trimethylsilyl-2-tri(propan-2-yl)silyloxyoct-3-enoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(Z,1S,2S)-1-pentyl-3-trimethylsilyl-2-tri(propan-2-yl)silyloxyoct-3-enoxy]silane
PubChem CID101415913
Molecular FormulaC31H68O2Si3
Molecular Weight557.14 g/mol
Exact Mass556.45
IUPAC Nametert-butyl-dimethyl-[(Z,1S,2S)-1-pentyl-3-trimethylsilyl-2-tri(propan-2-yl)silyloxyoct-3-enoxy]silane
SMILESCCCC/C=C(/[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](CCCCC)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C31H68O2Si3/c1-17-19-21-23-28(32-35(15,16)31(9,10)11)30(29(34(12,13)14)24-22-20-18-2)33-36(25(3)4,26(5)6)27(7)8/h24-28,30H,17-23H2,1-16H3/b29-24-/t28-,30-/m0/s1
InChIKeyGKCKCEGAUWPDFZ-NCWZPUEPSA-N
XLogP11.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.14
LogP ≤ 511.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

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tert-butyl-dimethyl-[(6S,7R,8Z)-7-methyltetradeca-8,10-dien-12-yn-6-yl]oxysilane
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tert-butyl-[(Z)-1-iodo-3-methylnon-2-en-4-yl]oxy-dimethylsilane
CID 134846992
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2-[tert-butyl(dimethyl)silyl]oxytridecanal
CID 170917454
tert-butyl-[(3R)-1-iododecan-3-yl]oxy-dimethylsilane
CID 140734279
[1,1-dimethoxy-2-tri(propan-2-yl)silyloxyoctan-3-yl]oxy-tri(propan-2-yl)silane
CID 174144544
methyl (2R)-2-[1-acetyloxy-16-[(1R,2S)-2-[(19S,20S)-19-[tert-butyl(dimethyl)silyl]oxy-20-methyloctatriacontyl]cyclopropyl]hexadec-1-enyl]hexacosanoate
CID 123885196
(E,3S,5S)-3-[tert-butyl(dimethyl)silyl]oxy-7-tributylstannyl-5-tri(propan-2-yl)silyloxyhept-6-en-1-ol
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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(Z,1S,2S)-1-pentyl-3-trimethylsilyl-2-tri(propan-2-yl)silyloxyoct-3-enoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(Z,1S,2S)-1-pentyl-3-trimethylsilyl-2-tri(propan-2-yl)silyloxyoct-3-enoxy]silane (CID 101415913) is tert-butyl-dimethyl-[(Z,1S,2S)-1-pentyl-3-trimethylsilyl-2-tri(propan-2-yl)silyloxyoct-3-enoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(Z,1S,2S)-1-pentyl-3-trimethylsilyl-2-tri(propan-2-yl)silyloxyoct-3-enoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(Z,1S,2S)-1-pentyl-3-trimethylsilyl-2-tri(propan-2-yl)silyloxyoct-3-enoxy]silane is CCCC/C=C(/[C@@H](O[Si](C(C)C)(C(C)C)C(C)C)[C@H](CCCCC)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(Z,1S,2S)-1-pentyl-3-trimethylsilyl-2-tri(propan-2-yl)silyloxyoct-3-enoxy]silane?
The InChIKey is GKCKCEGAUWPDFZ-NCWZPUEPSA-N. The full InChI is InChI=1S/C31H68O2Si3/c1-17-19-21-23-28(32-35(15,16)31(9,10)11)30(29(34(12,13)14)24-22-20-18-2)33-36(25(3)4,26(5)6)27(7)8/h24-28,30H,17-23H2,1-16H3/b29-24-/t28-,30-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(Z,1S,2S)-1-pentyl-3-trimethylsilyl-2-tri(propan-2-yl)silyloxyoct-3-enoxy]silane?
tert-butyl-dimethyl-[(Z,1S,2S)-1-pentyl-3-trimethylsilyl-2-tri(propan-2-yl)silyloxyoct-3-enoxy]silane has a molecular weight of 557.14 g/mol, XLogP of 11.51, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(Z,1S,2S)-1-pentyl-3-trimethylsilyl-2-tri(propan-2-yl)silyloxyoct-3-enoxy]silane is sourced from PubChem (CID 101415913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).