tert-butyl-dimethyl-[3-(oxan-4-yl)propoxy]silane

C14H30O2Si — CID 158673934

IUPACtert-butyl-dimethyl-[3-(oxan-4-yl)propoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCCCC1CCOCC1
InChIInChI=1S/C14H30O2Si/c1-14(2,3)17(4,5)16-10-6-7-13-8-11-15-12-9-13/h13H,6-12H2,1-5H3
InChIKeyIEGXKYDGVYILQM-UHFFFAOYSA-N
MW258.48 g/mol
LogP4.22
Rot. Bonds5

About tert-butyl-dimethyl-[3-(oxan-4-yl)propoxy]silane

tert-butyl-dimethyl-[3-(oxan-4-yl)propoxy]silane (PubChem CID 158673934) has the molecular formula C14H30O2Si and a molecular weight of 258.48 g/mol. Its IUPAC name is tert-butyl-dimethyl-[3-(oxan-4-yl)propoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[3-(oxan-4-yl)propoxy]silane
PubChem CID158673934
Molecular FormulaC14H30O2Si
Molecular Weight258.48 g/mol
Exact Mass258.20
IUPAC Nametert-butyl-dimethyl-[3-(oxan-4-yl)propoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCCCC1CCOCC1
InChIInChI=1S/C14H30O2Si/c1-14(2,3)17(4,5)16-10-6-7-13-8-11-15-12-9-13/h13H,6-12H2,1-5H3
InChIKeyIEGXKYDGVYILQM-UHFFFAOYSA-N
XLogP4.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.48
LogP ≤ 54.22
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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[3-(oxan-4-yl)propoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[3-(oxan-4-yl)propoxy]silane (CID 158673934) is tert-butyl-dimethyl-[3-(oxan-4-yl)propoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[3-(oxan-4-yl)propoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[3-(oxan-4-yl)propoxy]silane is CC(C)(C)[Si](C)(C)OCCCC1CCOCC1.
What is the InChIKey of tert-butyl-dimethyl-[3-(oxan-4-yl)propoxy]silane?
The InChIKey is IEGXKYDGVYILQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2Si/c1-14(2,3)17(4,5)16-10-6-7-13-8-11-15-12-9-13/h13H,6-12H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-[3-(oxan-4-yl)propoxy]silane?
tert-butyl-dimethyl-[3-(oxan-4-yl)propoxy]silane has a molecular weight of 258.48 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[3-(oxan-4-yl)propoxy]silane is sourced from PubChem (CID 158673934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).