tert-butyl-dimethyl-[(4R)-non-6-yn-4-yl]oxysilane

C15H30OSi — CID 160746232

IUPACtert-butyl-dimethyl-[(4R)-non-6-yn-4-yl]oxysilane
SMILESCCC#CC[C@@H](CCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30OSi/c1-8-10-11-13-14(12-9-2)16-17(6,7)15(3,4)5/h14H,8-9,12-13H2,1-7H3/t14-/m1/s1
InChIKeyRWFMZPRQNKRQSV-CQSZACIVSA-N
MW254.49 g/mol
LogP4.98
Rot. Bonds5

About tert-butyl-dimethyl-[(4R)-non-6-yn-4-yl]oxysilane

tert-butyl-dimethyl-[(4R)-non-6-yn-4-yl]oxysilane (PubChem CID 160746232) has the molecular formula C15H30OSi and a molecular weight of 254.49 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(4R)-non-6-yn-4-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(4R)-non-6-yn-4-yl]oxysilane
PubChem CID160746232
Molecular FormulaC15H30OSi
Molecular Weight254.49 g/mol
Exact Mass254.21
IUPAC Nametert-butyl-dimethyl-[(4R)-non-6-yn-4-yl]oxysilane
SMILESCCC#CC[C@@H](CCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H30OSi/c1-8-10-11-13-14(12-9-2)16-17(6,7)15(3,4)5/h14H,8-9,12-13H2,1-7H3/t14-/m1/s1
InChIKeyRWFMZPRQNKRQSV-CQSZACIVSA-N
XLogP4.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.49
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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-dimethyl-[(4R)-non-6-yn-4-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[(4R)-non-6-yn-4-yl]oxysilane (CID 160746232) is tert-butyl-dimethyl-[(4R)-non-6-yn-4-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[(4R)-non-6-yn-4-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[(4R)-non-6-yn-4-yl]oxysilane is CCC#CC[C@@H](CCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-[(4R)-non-6-yn-4-yl]oxysilane?
The InChIKey is RWFMZPRQNKRQSV-CQSZACIVSA-N. The full InChI is InChI=1S/C15H30OSi/c1-8-10-11-13-14(12-9-2)16-17(6,7)15(3,4)5/h14H,8-9,12-13H2,1-7H3/t14-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[(4R)-non-6-yn-4-yl]oxysilane?
tert-butyl-dimethyl-[(4R)-non-6-yn-4-yl]oxysilane has a molecular weight of 254.49 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(4R)-non-6-yn-4-yl]oxysilane is sourced from PubChem (CID 160746232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).