tert-butyl-hydroxy-dimethylsilane;dodec-1-yne

C18H38OSi — CID 87257106

IUPACtert-butyl-hydroxy-dimethylsilane;dodec-1-yne
SMILESC#CCCCCCCCCCC.CC(C)(C)[Si](C)(C)O
InChIInChI=1S/C12H22.C6H16OSi/c1-3-5-7-9-11-12-10-8-6-4-2;1-6(2,3)8(4,5)7/h1H,4-12H2,2H3;7H,1-5H3
InChIKeyKSUVCXBVVZTBKS-UHFFFAOYSA-N
MW298.59 g/mol
LogP6.13
Rot. Bonds8

About tert-butyl-hydroxy-dimethylsilane;dodec-1-yne

tert-butyl-hydroxy-dimethylsilane;dodec-1-yne (PubChem CID 87257106) has the molecular formula C18H38OSi and a molecular weight of 298.59 g/mol. Its IUPAC name is tert-butyl-hydroxy-dimethylsilane;dodec-1-yne.

Molecular Properties

Compound Nametert-butyl-hydroxy-dimethylsilane;dodec-1-yne
PubChem CID87257106
Molecular FormulaC18H38OSi
Molecular Weight298.59 g/mol
Exact Mass298.27
IUPAC Nametert-butyl-hydroxy-dimethylsilane;dodec-1-yne
SMILESC#CCCCCCCCCCC.CC(C)(C)[Si](C)(C)O
InChIInChI=1S/C12H22.C6H16OSi/c1-3-5-7-9-11-12-10-8-6-4-2;1-6(2,3)8(4,5)7/h1H,4-12H2,2H3;7H,1-5H3
InChIKeyKSUVCXBVVZTBKS-UHFFFAOYSA-N
XLogP6.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.59
LogP ≤ 56.13
H-Bond Donors ≤ 51
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': 'triple_bond', 'substructure': 'N/A'}

Analyze tert-butyl-hydroxy-dimethylsilane;dodec-1-yne with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-hydroxy-dimethylsilane;dodec-1-yne?
The IUPAC name of tert-butyl-hydroxy-dimethylsilane;dodec-1-yne (CID 87257106) is tert-butyl-hydroxy-dimethylsilane;dodec-1-yne.
What is the SMILES notation for tert-butyl-hydroxy-dimethylsilane;dodec-1-yne?
The canonical SMILES for tert-butyl-hydroxy-dimethylsilane;dodec-1-yne is C#CCCCCCCCCCC.CC(C)(C)[Si](C)(C)O.
What is the InChIKey of tert-butyl-hydroxy-dimethylsilane;dodec-1-yne?
The InChIKey is KSUVCXBVVZTBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22.C6H16OSi/c1-3-5-7-9-11-12-10-8-6-4-2;1-6(2,3)8(4,5)7/h1H,4-12H2,2H3;7H,1-5H3.
What are the key properties of tert-butyl-hydroxy-dimethylsilane;dodec-1-yne?
tert-butyl-hydroxy-dimethylsilane;dodec-1-yne has a molecular weight of 298.59 g/mol, XLogP of 6.13, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-hydroxy-dimethylsilane;dodec-1-yne is sourced from PubChem (CID 87257106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).