tert-butyl-dimethyl-(3-phenylmethoxypropoxy)silane

C16H28O2Si — CID 11471527

IUPACtert-butyl-dimethyl-(3-phenylmethoxypropoxy)silane
SMILESCC(C)(C)[Si](C)(C)OCCCOCc1ccccc1
InChIInChI=1S/C16H28O2Si/c1-16(2,3)19(4,5)18-13-9-12-17-14-15-10-7-6-8-11-15/h6-8,10-11H,9,12-14H2,1-5H3
InChIKeyJNPHNDHCGMFJMY-UHFFFAOYSA-N
MW280.48 g/mol
LogP4.62
Rot. Bonds7

About tert-butyl-dimethyl-(3-phenylmethoxypropoxy)silane

tert-butyl-dimethyl-(3-phenylmethoxypropoxy)silane (PubChem CID 11471527) has the molecular formula C16H28O2Si and a molecular weight of 280.48 g/mol. Its IUPAC name is tert-butyl-dimethyl-(3-phenylmethoxypropoxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(3-phenylmethoxypropoxy)silane
PubChem CID11471527
Molecular FormulaC16H28O2Si
Molecular Weight280.48 g/mol
Exact Mass280.19
IUPAC Nametert-butyl-dimethyl-(3-phenylmethoxypropoxy)silane
SMILESCC(C)(C)[Si](C)(C)OCCCOCc1ccccc1
InChIInChI=1S/C16H28O2Si/c1-16(2,3)19(4,5)18-13-9-12-17-14-15-10-7-6-8-11-15/h6-8,10-11H,9,12-14H2,1-5H3
InChIKeyJNPHNDHCGMFJMY-UHFFFAOYSA-N
XLogP4.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 54.62
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-phenylmethoxypropoxy)silane?
The IUPAC name of tert-butyl-dimethyl-(3-phenylmethoxypropoxy)silane (CID 11471527) is tert-butyl-dimethyl-(3-phenylmethoxypropoxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(3-phenylmethoxypropoxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(3-phenylmethoxypropoxy)silane is CC(C)(C)[Si](C)(C)OCCCOCc1ccccc1.
What is the InChIKey of tert-butyl-dimethyl-(3-phenylmethoxypropoxy)silane?
The InChIKey is JNPHNDHCGMFJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2Si/c1-16(2,3)19(4,5)18-13-9-12-17-14-15-10-7-6-8-11-15/h6-8,10-11H,9,12-14H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-(3-phenylmethoxypropoxy)silane?
tert-butyl-dimethyl-(3-phenylmethoxypropoxy)silane has a molecular weight of 280.48 g/mol, XLogP of 4.62, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(3-phenylmethoxypropoxy)silane is sourced from PubChem (CID 11471527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).