tert-butyl(3-pentoxypropoxy)silane

C12H28O2Si — CID 123911928

IUPACtert-butyl(3-pentoxypropoxy)silane
SMILESCCCCCOCCCO[SiH2]C(C)(C)C
InChIInChI=1S/C12H28O2Si/c1-5-6-7-9-13-10-8-11-14-15-12(2,3)4/h5-11,15H2,1-4H3
InChIKeyGOHDVSIPNGNSHX-UHFFFAOYSA-N
MW232.44 g/mol
LogP2.90
Rot. Bonds9

About tert-butyl(3-pentoxypropoxy)silane

tert-butyl(3-pentoxypropoxy)silane (PubChem CID 123911928) has the molecular formula C12H28O2Si and a molecular weight of 232.44 g/mol. Its IUPAC name is tert-butyl(3-pentoxypropoxy)silane.

Molecular Properties

Compound Nametert-butyl(3-pentoxypropoxy)silane
PubChem CID123911928
Molecular FormulaC12H28O2Si
Molecular Weight232.44 g/mol
Exact Mass232.19
IUPAC Nametert-butyl(3-pentoxypropoxy)silane
SMILESCCCCCOCCCO[SiH2]C(C)(C)C
InChIInChI=1S/C12H28O2Si/c1-5-6-7-9-13-10-8-11-14-15-12(2,3)4/h5-11,15H2,1-4H3
InChIKeyGOHDVSIPNGNSHX-UHFFFAOYSA-N
XLogP2.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.44
LogP ≤ 52.90
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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Related Compounds

tert-butyl(2-heptadecoxyethoxy)silane
CID 123312974
1-octoxyoctane;titanium
CID 158207327
1-(3-octoxypropoxy)nonane
CID 123372111
1-[3-(2,2-dimethylpropoxy)propoxy]hexane
CID 166789205
1-decoxydocosane
CID 87077677
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-dodecoxyhexadecane
CID 22256973
1-heptacosoxyheptacosane
CID 57287180
1-(6-octadecoxyhexoxy)octadecane
CID 139884769
1-(7-tetradecoxyheptoxy)tetradecane
CID 139884729
1-hexacosoxyhexacosane
CID 56611156

Frequently Asked Questions

What is the IUPAC name of tert-butyl(3-pentoxypropoxy)silane?
The IUPAC name of tert-butyl(3-pentoxypropoxy)silane (CID 123911928) is tert-butyl(3-pentoxypropoxy)silane.
What is the SMILES notation for tert-butyl(3-pentoxypropoxy)silane?
The canonical SMILES for tert-butyl(3-pentoxypropoxy)silane is CCCCCOCCCO[SiH2]C(C)(C)C.
What is the InChIKey of tert-butyl(3-pentoxypropoxy)silane?
The InChIKey is GOHDVSIPNGNSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O2Si/c1-5-6-7-9-13-10-8-11-14-15-12(2,3)4/h5-11,15H2,1-4H3.
What are the key properties of tert-butyl(3-pentoxypropoxy)silane?
tert-butyl(3-pentoxypropoxy)silane has a molecular weight of 232.44 g/mol, XLogP of 2.90, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(3-pentoxypropoxy)silane is sourced from PubChem (CID 123911928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).