tert-butyl-dimethyl-[7-[(2R)-oxiran-2-yl]hept-5-ynoxy]silane

C15H28O2Si — CID 54672543

IUPACtert-butyl-dimethyl-[7-[(2R)-oxiran-2-yl]hept-5-ynoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCCCCC#CC[C@@H]1CO1
InChIInChI=1S/C15H28O2Si/c1-15(2,3)18(4,5)17-12-10-8-6-7-9-11-14-13-16-14/h14H,6,8,10-13H2,1-5H3/t14-/m1/s1
InChIKeyJOGXCZBRWHEWDX-CQSZACIVSA-N
MW268.47 g/mol
LogP3.97
Rot. Bonds6

About tert-butyl-dimethyl-[7-[(2R)-oxiran-2-yl]hept-5-ynoxy]silane

tert-butyl-dimethyl-[7-[(2R)-oxiran-2-yl]hept-5-ynoxy]silane (PubChem CID 54672543) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is tert-butyl-dimethyl-[7-[(2R)-oxiran-2-yl]hept-5-ynoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[7-[(2R)-oxiran-2-yl]hept-5-ynoxy]silane
PubChem CID54672543
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Nametert-butyl-dimethyl-[7-[(2R)-oxiran-2-yl]hept-5-ynoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCCCCC#CC[C@@H]1CO1
InChIInChI=1S/C15H28O2Si/c1-15(2,3)18(4,5)17-12-10-8-6-7-9-11-14-13-16-14/h14H,6,8,10-13H2,1-5H3/t14-/m1/s1
InChIKeyJOGXCZBRWHEWDX-CQSZACIVSA-N
XLogP3.97
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', '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-[7-[(2R)-oxiran-2-yl]hept-5-ynoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[7-[(2R)-oxiran-2-yl]hept-5-ynoxy]silane (CID 54672543) is tert-butyl-dimethyl-[7-[(2R)-oxiran-2-yl]hept-5-ynoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[7-[(2R)-oxiran-2-yl]hept-5-ynoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[7-[(2R)-oxiran-2-yl]hept-5-ynoxy]silane is CC(C)(C)[Si](C)(C)OCCCCC#CC[C@@H]1CO1.
What is the InChIKey of tert-butyl-dimethyl-[7-[(2R)-oxiran-2-yl]hept-5-ynoxy]silane?
The InChIKey is JOGXCZBRWHEWDX-CQSZACIVSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-15(2,3)18(4,5)17-12-10-8-6-7-9-11-14-13-16-14/h14H,6,8,10-13H2,1-5H3/t14-/m1/s1.
What are the key properties of tert-butyl-dimethyl-[7-[(2R)-oxiran-2-yl]hept-5-ynoxy]silane?
tert-butyl-dimethyl-[7-[(2R)-oxiran-2-yl]hept-5-ynoxy]silane has a molecular weight of 268.47 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[7-[(2R)-oxiran-2-yl]hept-5-ynoxy]silane is sourced from PubChem (CID 54672543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).