tert-butyl(2-heptadecoxyethoxy)silane

C23H50O2Si — CID 123312974

IUPACtert-butyl(2-heptadecoxyethoxy)silane
SMILESCCCCCCCCCCCCCCCCCOCCO[SiH2]C(C)(C)C
InChIInChI=1S/C23H50O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-21-22-25-26-23(2,3)4/h5-22,26H2,1-4H3
InChIKeyITGCJRQBMIBCQU-UHFFFAOYSA-N
MW386.74 g/mol
LogP7.19
Rot. Bonds20

About tert-butyl(2-heptadecoxyethoxy)silane

tert-butyl(2-heptadecoxyethoxy)silane (PubChem CID 123312974) has the molecular formula C23H50O2Si and a molecular weight of 386.74 g/mol. Its IUPAC name is tert-butyl(2-heptadecoxyethoxy)silane.

Molecular Properties

Compound Nametert-butyl(2-heptadecoxyethoxy)silane
PubChem CID123312974
Molecular FormulaC23H50O2Si
Molecular Weight386.74 g/mol
Exact Mass386.36
IUPAC Nametert-butyl(2-heptadecoxyethoxy)silane
SMILESCCCCCCCCCCCCCCCCCOCCO[SiH2]C(C)(C)C
InChIInChI=1S/C23H50O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-21-22-25-26-23(2,3)4/h5-22,26H2,1-4H3
InChIKeyITGCJRQBMIBCQU-UHFFFAOYSA-N
XLogP7.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.74
LogP ≤ 57.19
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(3-pentoxypropoxy)silane
CID 123911928
1-[2-(2-tetradecoxyethoxy)ethoxy]tetradecane
CID 10743953
1-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]heptane
CID 150797704
1-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hexadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octadecane
CID 86345710
1-(2-octoxyethoxy)octane
CID 12711862
1-[2-[2-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octane
CID 151767279
1-[2-(2-heptoxyethoxy)ethoxy]heptane
CID 14402381
1-[2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]ethoxy]octane
CID 86197097
1-(2-decoxyethoxy)decane
CID 14009354
1-(2-nonoxyethoxy)nonane
CID 87982931
1-decoxydocosane
CID 87077677
1-dodecoxyhexadecane
CID 22256973

Frequently Asked Questions

What is the IUPAC name of tert-butyl(2-heptadecoxyethoxy)silane?
The IUPAC name of tert-butyl(2-heptadecoxyethoxy)silane (CID 123312974) is tert-butyl(2-heptadecoxyethoxy)silane.
What is the SMILES notation for tert-butyl(2-heptadecoxyethoxy)silane?
The canonical SMILES for tert-butyl(2-heptadecoxyethoxy)silane is CCCCCCCCCCCCCCCCCOCCO[SiH2]C(C)(C)C.
What is the InChIKey of tert-butyl(2-heptadecoxyethoxy)silane?
The InChIKey is ITGCJRQBMIBCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H50O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-21-22-25-26-23(2,3)4/h5-22,26H2,1-4H3.
What are the key properties of tert-butyl(2-heptadecoxyethoxy)silane?
tert-butyl(2-heptadecoxyethoxy)silane has a molecular weight of 386.74 g/mol, XLogP of 7.19, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl(2-heptadecoxyethoxy)silane is sourced from PubChem (CID 123312974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).