tert-butyl-heptan-2-yloxy-dimethylsilane

C13H30OSi — CID 6430228

IUPACtert-butyl-heptan-2-yloxy-dimethylsilane
SMILESCCCCCC(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H30OSi/c1-8-9-10-11-12(2)14-15(6,7)13(3,4)5/h12H,8-11H2,1-7H3
InChIKeyUZSLBVITEXOSGI-UHFFFAOYSA-N
MW230.47 g/mol
LogP4.98
Rot. Bonds6

About tert-butyl-heptan-2-yloxy-dimethylsilane

tert-butyl-heptan-2-yloxy-dimethylsilane (PubChem CID 6430228) has the molecular formula C13H30OSi and a molecular weight of 230.47 g/mol. Its IUPAC name is tert-butyl-heptan-2-yloxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-heptan-2-yloxy-dimethylsilane
PubChem CID6430228
Molecular FormulaC13H30OSi
Molecular Weight230.47 g/mol
Exact Mass230.21
IUPAC Nametert-butyl-heptan-2-yloxy-dimethylsilane
SMILESCCCCCC(C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H30OSi/c1-8-9-10-11-12(2)14-15(6,7)13(3,4)5/h12H,8-11H2,1-7H3
InChIKeyUZSLBVITEXOSGI-UHFFFAOYSA-N
XLogP4.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.47
LogP ≤ 54.98
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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-heptan-2-yloxy-dimethylsilane?
The IUPAC name of tert-butyl-heptan-2-yloxy-dimethylsilane (CID 6430228) is tert-butyl-heptan-2-yloxy-dimethylsilane.
What is the SMILES notation for tert-butyl-heptan-2-yloxy-dimethylsilane?
The canonical SMILES for tert-butyl-heptan-2-yloxy-dimethylsilane is CCCCCC(C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-heptan-2-yloxy-dimethylsilane?
The InChIKey is UZSLBVITEXOSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30OSi/c1-8-9-10-11-12(2)14-15(6,7)13(3,4)5/h12H,8-11H2,1-7H3.
What are the key properties of tert-butyl-heptan-2-yloxy-dimethylsilane?
tert-butyl-heptan-2-yloxy-dimethylsilane has a molecular weight of 230.47 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-heptan-2-yloxy-dimethylsilane is sourced from PubChem (CID 6430228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).