tert-butyl-hept-6-ynyl-dimethylsilane

C13H26Si — CID 134994880

IUPACtert-butyl-hept-6-ynyl-dimethylsilane
SMILESC#CCCCCC[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26Si/c1-7-8-9-10-11-12-14(5,6)13(2,3)4/h1H,8-12H2,2-6H3
InChIKeyOMIJAFRCRWQONT-UHFFFAOYSA-N
MW210.44 g/mol
LogP4.69
Rot. Bonds5

About tert-butyl-hept-6-ynyl-dimethylsilane

tert-butyl-hept-6-ynyl-dimethylsilane (PubChem CID 134994880) has the molecular formula C13H26Si and a molecular weight of 210.44 g/mol. Its IUPAC name is tert-butyl-hept-6-ynyl-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-hept-6-ynyl-dimethylsilane
PubChem CID134994880
Molecular FormulaC13H26Si
Molecular Weight210.44 g/mol
Exact Mass210.18
IUPAC Nametert-butyl-hept-6-ynyl-dimethylsilane
SMILESC#CCCCCC[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H26Si/c1-7-8-9-10-11-12-14(5,6)13(2,3)4/h1H,8-12H2,2-6H3
InChIKeyOMIJAFRCRWQONT-UHFFFAOYSA-N
XLogP4.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.44
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-hept-6-ynyl-dimethylsilane?
The IUPAC name of tert-butyl-hept-6-ynyl-dimethylsilane (CID 134994880) is tert-butyl-hept-6-ynyl-dimethylsilane.
What is the SMILES notation for tert-butyl-hept-6-ynyl-dimethylsilane?
The canonical SMILES for tert-butyl-hept-6-ynyl-dimethylsilane is C#CCCCCC[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-hept-6-ynyl-dimethylsilane?
The InChIKey is OMIJAFRCRWQONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26Si/c1-7-8-9-10-11-12-14(5,6)13(2,3)4/h1H,8-12H2,2-6H3.
What are the key properties of tert-butyl-hept-6-ynyl-dimethylsilane?
tert-butyl-hept-6-ynyl-dimethylsilane has a molecular weight of 210.44 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-hept-6-ynyl-dimethylsilane is sourced from PubChem (CID 134994880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).