tert-butyl-dimethyl-(2-methylhexan-3-yloxy)silane

C13H30OSi — CID 91697305

IUPACtert-butyl-dimethyl-(2-methylhexan-3-yloxy)silane
SMILESCCCC(O[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C13H30OSi/c1-9-10-12(11(2)3)14-15(7,8)13(4,5)6/h11-12H,9-10H2,1-8H3
InChIKeyOPXPUVCMWFIJCW-UHFFFAOYSA-N
MW230.47 g/mol
LogP4.83
Rot. Bonds5

About tert-butyl-dimethyl-(2-methylhexan-3-yloxy)silane

tert-butyl-dimethyl-(2-methylhexan-3-yloxy)silane (PubChem CID 91697305) has the molecular formula C13H30OSi and a molecular weight of 230.47 g/mol. Its IUPAC name is tert-butyl-dimethyl-(2-methylhexan-3-yloxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(2-methylhexan-3-yloxy)silane
PubChem CID91697305
Molecular FormulaC13H30OSi
Molecular Weight230.47 g/mol
Exact Mass230.21
IUPAC Nametert-butyl-dimethyl-(2-methylhexan-3-yloxy)silane
SMILESCCCC(O[Si](C)(C)C(C)(C)C)C(C)C
InChIInChI=1S/C13H30OSi/c1-9-10-12(11(2)3)14-15(7,8)13(4,5)6/h11-12H,9-10H2,1-8H3
InChIKeyOPXPUVCMWFIJCW-UHFFFAOYSA-N
XLogP4.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.47
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(2-methylhexan-3-yloxy)silane?
The IUPAC name of tert-butyl-dimethyl-(2-methylhexan-3-yloxy)silane (CID 91697305) is tert-butyl-dimethyl-(2-methylhexan-3-yloxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(2-methylhexan-3-yloxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(2-methylhexan-3-yloxy)silane is CCCC(O[Si](C)(C)C(C)(C)C)C(C)C.
What is the InChIKey of tert-butyl-dimethyl-(2-methylhexan-3-yloxy)silane?
The InChIKey is OPXPUVCMWFIJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30OSi/c1-9-10-12(11(2)3)14-15(7,8)13(4,5)6/h11-12H,9-10H2,1-8H3.
What are the key properties of tert-butyl-dimethyl-(2-methylhexan-3-yloxy)silane?
tert-butyl-dimethyl-(2-methylhexan-3-yloxy)silane has a molecular weight of 230.47 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(2-methylhexan-3-yloxy)silane is sourced from PubChem (CID 91697305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).