tert-butyl-dimethyl-[1-(oxetan-2-yl)-4-phenylbutan-2-yl]oxysilane

C19H32O2Si — CID 101441536

IUPACtert-butyl-dimethyl-[1-(oxetan-2-yl)-4-phenylbutan-2-yl]oxysilane
SMILESCC(C)(C)[Si](C)(C)OC(CCc1ccccc1)CC1CCO1
InChIInChI=1S/C19H32O2Si/c1-19(2,3)22(4,5)21-18(15-17-13-14-20-17)12-11-16-9-7-6-8-10-16/h6-10,17-18H,11-15H2,1-5H3
InChIKeyRPXFDGMDSZBBLV-UHFFFAOYSA-N
MW320.55 g/mol
LogP5.19
Rot. Bonds7

About tert-butyl-dimethyl-[1-(oxetan-2-yl)-4-phenylbutan-2-yl]oxysilane

tert-butyl-dimethyl-[1-(oxetan-2-yl)-4-phenylbutan-2-yl]oxysilane (PubChem CID 101441536) has the molecular formula C19H32O2Si and a molecular weight of 320.55 g/mol. Its IUPAC name is tert-butyl-dimethyl-[1-(oxetan-2-yl)-4-phenylbutan-2-yl]oxysilane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[1-(oxetan-2-yl)-4-phenylbutan-2-yl]oxysilane
PubChem CID101441536
Molecular FormulaC19H32O2Si
Molecular Weight320.55 g/mol
Exact Mass320.22
IUPAC Nametert-butyl-dimethyl-[1-(oxetan-2-yl)-4-phenylbutan-2-yl]oxysilane
SMILESCC(C)(C)[Si](C)(C)OC(CCc1ccccc1)CC1CCO1
InChIInChI=1S/C19H32O2Si/c1-19(2,3)22(4,5)21-18(15-17-13-14-20-17)12-11-16-9-7-6-8-10-16/h6-10,17-18H,11-15H2,1-5H3
InChIKeyRPXFDGMDSZBBLV-UHFFFAOYSA-N
XLogP5.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.55
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[1-(oxetan-2-yl)-4-phenylbutan-2-yl]oxysilane?
The IUPAC name of tert-butyl-dimethyl-[1-(oxetan-2-yl)-4-phenylbutan-2-yl]oxysilane (CID 101441536) is tert-butyl-dimethyl-[1-(oxetan-2-yl)-4-phenylbutan-2-yl]oxysilane.
What is the SMILES notation for tert-butyl-dimethyl-[1-(oxetan-2-yl)-4-phenylbutan-2-yl]oxysilane?
The canonical SMILES for tert-butyl-dimethyl-[1-(oxetan-2-yl)-4-phenylbutan-2-yl]oxysilane is CC(C)(C)[Si](C)(C)OC(CCc1ccccc1)CC1CCO1.
What is the InChIKey of tert-butyl-dimethyl-[1-(oxetan-2-yl)-4-phenylbutan-2-yl]oxysilane?
The InChIKey is RPXFDGMDSZBBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2Si/c1-19(2,3)22(4,5)21-18(15-17-13-14-20-17)12-11-16-9-7-6-8-10-16/h6-10,17-18H,11-15H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-[1-(oxetan-2-yl)-4-phenylbutan-2-yl]oxysilane?
tert-butyl-dimethyl-[1-(oxetan-2-yl)-4-phenylbutan-2-yl]oxysilane has a molecular weight of 320.55 g/mol, XLogP of 5.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[1-(oxetan-2-yl)-4-phenylbutan-2-yl]oxysilane is sourced from PubChem (CID 101441536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).