[(2S)-butan-2-yl]-[4-[2-[4-[[(2S)-butan-2-yl]-dimethylsilyl]phenyl]ethynyl]phenyl]-dimethylsilane

C26H38Si2 — CID 101091349

IUPAC[(2S)-butan-2-yl]-[4-[2-[4-[[(2S)-butan-2-yl]-dimethylsilyl]phenyl]ethynyl]phenyl]-dimethylsilane
SMILESCC[C@H](C)[Si](C)(C)c1ccc(C#Cc2ccc([Si](C)(C)[C@@H](C)CC)cc2)cc1
InChIInChI=1S/C26H38Si2/c1-9-21(3)27(5,6)25-17-13-23(14-18-25)11-12-24-15-19-26(20-16-24)28(7,8)22(4)10-2/h13-22H,9-10H2,1-8H3/t21-,22-/m0/s1
InChIKeyLYCOTEMTQSTUDN-VXKWHMMOSA-N
MW406.76 g/mol
LogP6.52
Rot. Bonds6

About [(2S)-butan-2-yl]-[4-[2-[4-[[(2S)-butan-2-yl]-dimethylsilyl]phenyl]ethynyl]phenyl]-dimethylsilane

[(2S)-butan-2-yl]-[4-[2-[4-[[(2S)-butan-2-yl]-dimethylsilyl]phenyl]ethynyl]phenyl]-dimethylsilane (PubChem CID 101091349) has the molecular formula C26H38Si2 and a molecular weight of 406.76 g/mol. Its IUPAC name is [(2S)-butan-2-yl]-[4-[2-[4-[[(2S)-butan-2-yl]-dimethylsilyl]phenyl]ethynyl]phenyl]-dimethylsilane.

Molecular Properties

Compound Name[(2S)-butan-2-yl]-[4-[2-[4-[[(2S)-butan-2-yl]-dimethylsilyl]phenyl]ethynyl]phenyl]-dimethylsilane
PubChem CID101091349
Molecular FormulaC26H38Si2
Molecular Weight406.76 g/mol
Exact Mass406.25
IUPAC Name[(2S)-butan-2-yl]-[4-[2-[4-[[(2S)-butan-2-yl]-dimethylsilyl]phenyl]ethynyl]phenyl]-dimethylsilane
SMILESCC[C@H](C)[Si](C)(C)c1ccc(C#Cc2ccc([Si](C)(C)[C@@H](C)CC)cc2)cc1
InChIInChI=1S/C26H38Si2/c1-9-21(3)27(5,6)25-17-13-23(14-18-25)11-12-24-15-19-26(20-16-24)28(7,8)22(4)10-2/h13-22H,9-10H2,1-8H3/t21-,22-/m0/s1
InChIKeyLYCOTEMTQSTUDN-VXKWHMMOSA-N
XLogP6.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.76
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

butan-2-yl-dimethyl-phenylsilane
CID 102005826
trihydroxy-[4-[2-[4-[2-(4-trihydroxysilylphenyl)ethynyl]phenyl]ethynyl]phenyl]silane
CID 101167679
tri(propan-2-yl)-[2-[4-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]silane
CID 11657473
trimethyl-[2-[4-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]silane
CID 15312832
[4-[2-(3,5-difluorophenyl)ethynyl]phenyl]-trimethylsilane
CID 86078696
1-(2-methylbutyl)-4-[4-[4-(2-methylbutyl)phenyl]buta-1,3-diynyl]benzene
CID 86002723
dimethyl-[(2S)-pent-4-en-2-yl]-phenylsilane
CID 134970098
[4-(4-chlorobut-1-ynyl)phenyl]-trimethylsilane
CID 170467968
ethoxy-dimethyl-[4-(4-phenylbuta-1,3-diynyl)phenyl]silane
CID 164533641
trimethyl-[2-(4-propan-2-ylphenyl)ethynyl]silane
CID 23390603
bis(4-butan-2-ylphenyl)-dihydroxysilane
CID 67121260
(2S)-N-ethyl-2-[4-(2-trimethylsilylethynyl)phenyl]propanamide
CID 124636916

Frequently Asked Questions

What is the IUPAC name of [(2S)-butan-2-yl]-[4-[2-[4-[[(2S)-butan-2-yl]-dimethylsilyl]phenyl]ethynyl]phenyl]-dimethylsilane?
The IUPAC name of [(2S)-butan-2-yl]-[4-[2-[4-[[(2S)-butan-2-yl]-dimethylsilyl]phenyl]ethynyl]phenyl]-dimethylsilane (CID 101091349) is [(2S)-butan-2-yl]-[4-[2-[4-[[(2S)-butan-2-yl]-dimethylsilyl]phenyl]ethynyl]phenyl]-dimethylsilane.
What is the SMILES notation for [(2S)-butan-2-yl]-[4-[2-[4-[[(2S)-butan-2-yl]-dimethylsilyl]phenyl]ethynyl]phenyl]-dimethylsilane?
The canonical SMILES for [(2S)-butan-2-yl]-[4-[2-[4-[[(2S)-butan-2-yl]-dimethylsilyl]phenyl]ethynyl]phenyl]-dimethylsilane is CC[C@H](C)[Si](C)(C)c1ccc(C#Cc2ccc([Si](C)(C)[C@@H](C)CC)cc2)cc1.
What is the InChIKey of [(2S)-butan-2-yl]-[4-[2-[4-[[(2S)-butan-2-yl]-dimethylsilyl]phenyl]ethynyl]phenyl]-dimethylsilane?
The InChIKey is LYCOTEMTQSTUDN-VXKWHMMOSA-N. The full InChI is InChI=1S/C26H38Si2/c1-9-21(3)27(5,6)25-17-13-23(14-18-25)11-12-24-15-19-26(20-16-24)28(7,8)22(4)10-2/h13-22H,9-10H2,1-8H3/t21-,22-/m0/s1.
What are the key properties of [(2S)-butan-2-yl]-[4-[2-[4-[[(2S)-butan-2-yl]-dimethylsilyl]phenyl]ethynyl]phenyl]-dimethylsilane?
[(2S)-butan-2-yl]-[4-[2-[4-[[(2S)-butan-2-yl]-dimethylsilyl]phenyl]ethynyl]phenyl]-dimethylsilane has a molecular weight of 406.76 g/mol, XLogP of 6.52, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-butan-2-yl]-[4-[2-[4-[[(2S)-butan-2-yl]-dimethylsilyl]phenyl]ethynyl]phenyl]-dimethylsilane is sourced from PubChem (CID 101091349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).