tert-butyl-(3-hexyloxiran-2-yl)-dimethylsilane

C14H30OSi — CID 10890092

IUPACtert-butyl-(3-hexyloxiran-2-yl)-dimethylsilane
SMILESCCCCCCC1OC1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30OSi/c1-7-8-9-10-11-12-13(15-12)16(5,6)14(2,3)4/h12-13H,7-11H2,1-6H3
InChIKeyOWNLECQMTAZJOK-UHFFFAOYSA-N
MW242.48 g/mol
LogP4.77
Rot. Bonds6

About tert-butyl-(3-hexyloxiran-2-yl)-dimethylsilane

tert-butyl-(3-hexyloxiran-2-yl)-dimethylsilane (PubChem CID 10890092) has the molecular formula C14H30OSi and a molecular weight of 242.48 g/mol. Its IUPAC name is tert-butyl-(3-hexyloxiran-2-yl)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(3-hexyloxiran-2-yl)-dimethylsilane
PubChem CID10890092
Molecular FormulaC14H30OSi
Molecular Weight242.48 g/mol
Exact Mass242.21
IUPAC Nametert-butyl-(3-hexyloxiran-2-yl)-dimethylsilane
SMILESCCCCCCC1OC1[Si](C)(C)C(C)(C)C
InChIInChI=1S/C14H30OSi/c1-7-8-9-10-11-12-13(15-12)16(5,6)14(2,3)4/h12-13H,7-11H2,1-6H3
InChIKeyOWNLECQMTAZJOK-UHFFFAOYSA-N
XLogP4.77
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.48
LogP ≤ 54.77
H-Bond Donors ≤ 50
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': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(3-hexyloxiran-2-yl)-dimethylsilane?
The IUPAC name of tert-butyl-(3-hexyloxiran-2-yl)-dimethylsilane (CID 10890092) is tert-butyl-(3-hexyloxiran-2-yl)-dimethylsilane.
What is the SMILES notation for tert-butyl-(3-hexyloxiran-2-yl)-dimethylsilane?
The canonical SMILES for tert-butyl-(3-hexyloxiran-2-yl)-dimethylsilane is CCCCCCC1OC1[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(3-hexyloxiran-2-yl)-dimethylsilane?
The InChIKey is OWNLECQMTAZJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30OSi/c1-7-8-9-10-11-12-13(15-12)16(5,6)14(2,3)4/h12-13H,7-11H2,1-6H3.
What are the key properties of tert-butyl-(3-hexyloxiran-2-yl)-dimethylsilane?
tert-butyl-(3-hexyloxiran-2-yl)-dimethylsilane has a molecular weight of 242.48 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(3-hexyloxiran-2-yl)-dimethylsilane is sourced from PubChem (CID 10890092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).