tert-butyl-dimethyl-(3-methylhept-1-yn-3-yloxy)silane

C14H28OSi — CID 86215743

IUPACtert-butyl-dimethyl-(3-methylhept-1-yn-3-yloxy)silane
SMILESC#CC(C)(CCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28OSi/c1-9-11-12-14(6,10-2)15-16(7,8)13(3,4)5/h2H,9,11-12H2,1,3-8H3
InChIKeySXNNKLAUKGMKMW-UHFFFAOYSA-N
MW240.46 g/mol
LogP4.59
Rot. Bonds5

About tert-butyl-dimethyl-(3-methylhept-1-yn-3-yloxy)silane

tert-butyl-dimethyl-(3-methylhept-1-yn-3-yloxy)silane (PubChem CID 86215743) has the molecular formula C14H28OSi and a molecular weight of 240.46 g/mol. Its IUPAC name is tert-butyl-dimethyl-(3-methylhept-1-yn-3-yloxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(3-methylhept-1-yn-3-yloxy)silane
PubChem CID86215743
Molecular FormulaC14H28OSi
Molecular Weight240.46 g/mol
Exact Mass240.19
IUPAC Nametert-butyl-dimethyl-(3-methylhept-1-yn-3-yloxy)silane
SMILESC#CC(C)(CCCC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H28OSi/c1-9-11-12-14(6,10-2)15-16(7,8)13(3,4)5/h2H,9,11-12H2,1,3-8H3
InChIKeySXNNKLAUKGMKMW-UHFFFAOYSA-N
XLogP4.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.46
LogP ≤ 54.59
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-(3-methylhept-1-yn-3-yloxy)silane?
The IUPAC name of tert-butyl-dimethyl-(3-methylhept-1-yn-3-yloxy)silane (CID 86215743) is tert-butyl-dimethyl-(3-methylhept-1-yn-3-yloxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(3-methylhept-1-yn-3-yloxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(3-methylhept-1-yn-3-yloxy)silane is C#CC(C)(CCCC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-dimethyl-(3-methylhept-1-yn-3-yloxy)silane?
The InChIKey is SXNNKLAUKGMKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28OSi/c1-9-11-12-14(6,10-2)15-16(7,8)13(3,4)5/h2H,9,11-12H2,1,3-8H3.
What are the key properties of tert-butyl-dimethyl-(3-methylhept-1-yn-3-yloxy)silane?
tert-butyl-dimethyl-(3-methylhept-1-yn-3-yloxy)silane has a molecular weight of 240.46 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(3-methylhept-1-yn-3-yloxy)silane is sourced from PubChem (CID 86215743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).