tert-butyl-dimethyl-[(Z,3S)-1-tri(propan-2-yl)silyldodec-4-en-1-yn-3-yl]oxysilane

C27H54OSi2 — CID 138977047

IUPACtert-butyl-dimethyl-[(Z,3S)-1-tri(propan-2-yl)silyldodec-4-en-1-yn-3-yl]oxysilane
SMILESCCCCCCC/C=C\[C@@H](C#C[Si](C(C)C)(C(C)C)C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H54OSi2/c1-13-14-15-16-17-18-19-20-26(28-29(11,12)27(8,9)10)21-22-30(23(2)3,24(4)5)25(6)7/h19-20,23-26H,13-18H2,1-12H3/b20-19-/t26-/m0/s1
InChIKeyNJYBMMIDAWFZOF-SZPGXFBLSA-N
MW450.90 g/mol
LogP9.51
Rot. Bonds12

About tert-butyl-dimethyl-[(Z,3S)-1-tri(propan-2-yl)silyldodec-4-en-1-yn-3-yl]oxysilane

tert-butyl-dimethyl-[(Z,3S)-1-tri(propan-2-yl)silyldodec-4-en-1-yn-3-yl]oxysilane (PubChem CID 138977047) has the molecular formula C27H54OSi2 and a molecular weight of 450.90 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(Z,3S)-1-tri(propan-2-yl)silyldodec-4-en-1-yn-3-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(Z,3S)-1-tri(propan-2-yl)silyldodec-4-en-1-yn-3-yl]oxysilane
PubChem CID138977047
Molecular FormulaC27H54OSi2
Molecular Weight450.90 g/mol
Exact Mass450.37
IUPAC Nametert-butyl-dimethyl-[(Z,3S)-1-tri(propan-2-yl)silyldodec-4-en-1-yn-3-yl]oxysilane
SMILESCCCCCCC/C=C\[C@@H](C#C[Si](C(C)C)(C(C)C)C(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H54OSi2/c1-13-14-15-16-17-18-19-20-26(28-29(11,12)27(8,9)10)21-22-30(23(2)3,24(4)5)25(6)7/h19-20,23-26H,13-18H2,1-12H3/b20-19-/t26-/m0/s1
InChIKeyNJYBMMIDAWFZOF-SZPGXFBLSA-N
XLogP9.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.90
LogP ≤ 59.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

1,8-cis-Undecadien-5-yne 3,7-bis-trimethylsilyl ether
CID 91696575
tert-Butyl(dimethyl)silyl 1-vinyl-2,4-dodecadiynyl ether
CID 385446
1-Triisobutylsilyloxyundec-2-ene
CID 5353181
1-Dimethylisopropylsilyloxyundec-2-ene
CID 5353188
2-Dimethyloctylsilyloxyoct-3-ene
CID 5353190
1-Dimethyloctylsilyloxyundec-2-ene
CID 5353191
1-Tripropylsilyloxyundec-2-ene
CID 5353193
2-Trihexylsilyloxyoct-3-ene
CID 5353195
1-Trihexylsilyloxyundec-2-ene
CID 5353196
1-Tributylsilyloxyundec-2-ene
CID 5353201
2-Dimethyldodecylsilyloxyoct-3-ene
CID 5353202
1-Dimethyldodecylsilyloxyundec-2-ene
CID 5353203

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(Z,3S)-1-tri(propan-2-yl)silyldodec-4-en-1-yn-3-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(Z,3S)-1-tri(propan-2-yl)silyldodec-4-en-1-yn-3-yl]oxysilane (CID 138977047) is tert-butyl-dimethyl-[(Z,3S)-1-tri(propan-2-yl)silyldodec-4-en-1-yn-3-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(Z,3S)-1-tri(propan-2-yl)silyldodec-4-en-1-yn-3-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(Z,3S)-1-tri(propan-2-yl)silyldodec-4-en-1-yn-3-yl]oxysilane is CCCCCCC/C=C\[C@@H](C#C[Si](C(C)C)(C(C)C)C(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(Z,3S)-1-tri(propan-2-yl)silyldodec-4-en-1-yn-3-yl]oxysilane?
The InChIKey is NJYBMMIDAWFZOF-SZPGXFBLSA-N. The full InChI is InChI=1S/C27H54OSi2/c1-13-14-15-16-17-18-19-20-26(28-29(11,12)27(8,9)10)21-22-30(23(2)3,24(4)5)25(6)7/h19-20,23-26H,13-18H2,1-12H3/b20-19-/t26-/m0/s1.
What are the key properties of tert-butyl-dimethyl-[(Z,3S)-1-tri(propan-2-yl)silyldodec-4-en-1-yn-3-yl]oxysilane?
tert-butyl-dimethyl-[(Z,3S)-1-tri(propan-2-yl)silyldodec-4-en-1-yn-3-yl]oxysilane has a molecular weight of 450.90 g/mol, XLogP of 9.51, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(Z,3S)-1-tri(propan-2-yl)silyldodec-4-en-1-yn-3-yl]oxysilane is sourced from PubChem (CID 138977047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).