[1-benzhydryl-3-(oxan-2-yloxy)azetidin-3-yl]methoxy-tert-butyl-dimethylsilane

C28H41NO3Si — CID 167312247

IUPAC[1-benzhydryl-3-(oxan-2-yloxy)azetidin-3-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1(OC2CCCCO2)CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C28H41NO3Si/c1-27(2,3)33(4,5)31-22-28(32-25-18-12-13-19-30-25)20-29(21-28)26(23-14-8-6-9-15-23)24-16-10-7-11-17-24/h6-11,14-17,25-26H,12-13,18-22H2,1-5H3
InChIKeyBWFSWZFVDDXXQY-UHFFFAOYSA-N
MW467.73 g/mol
LogP6.40
Rot. Bonds8

About [1-benzhydryl-3-(oxan-2-yloxy)azetidin-3-yl]methoxy-tert-butyl-dimethylsilane

[1-benzhydryl-3-(oxan-2-yloxy)azetidin-3-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 167312247) has the molecular formula C28H41NO3Si and a molecular weight of 467.73 g/mol. Its IUPAC name is [1-benzhydryl-3-(oxan-2-yloxy)azetidin-3-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[1-benzhydryl-3-(oxan-2-yloxy)azetidin-3-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID167312247
Molecular FormulaC28H41NO3Si
Molecular Weight467.73 g/mol
Exact Mass467.29
IUPAC Name[1-benzhydryl-3-(oxan-2-yloxy)azetidin-3-yl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC1(OC2CCCCO2)CN(C(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C28H41NO3Si/c1-27(2,3)33(4,5)31-22-28(32-25-18-12-13-19-30-25)20-29(21-28)26(23-14-8-6-9-15-23)24-16-10-7-11-17-24/h6-11,14-17,25-26H,12-13,18-22H2,1-5H3
InChIKeyBWFSWZFVDDXXQY-UHFFFAOYSA-N
XLogP6.40
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.73
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 [1-benzhydryl-3-(oxan-2-yloxy)azetidin-3-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [1-benzhydryl-3-(oxan-2-yloxy)azetidin-3-yl]methoxy-tert-butyl-dimethylsilane (CID 167312247) is [1-benzhydryl-3-(oxan-2-yloxy)azetidin-3-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [1-benzhydryl-3-(oxan-2-yloxy)azetidin-3-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [1-benzhydryl-3-(oxan-2-yloxy)azetidin-3-yl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCC1(OC2CCCCO2)CN(C(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of [1-benzhydryl-3-(oxan-2-yloxy)azetidin-3-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is BWFSWZFVDDXXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41NO3Si/c1-27(2,3)33(4,5)31-22-28(32-25-18-12-13-19-30-25)20-29(21-28)26(23-14-8-6-9-15-23)24-16-10-7-11-17-24/h6-11,14-17,25-26H,12-13,18-22H2,1-5H3.
What are the key properties of [1-benzhydryl-3-(oxan-2-yloxy)azetidin-3-yl]methoxy-tert-butyl-dimethylsilane?
[1-benzhydryl-3-(oxan-2-yloxy)azetidin-3-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 467.73 g/mol, XLogP of 6.40, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzhydryl-3-(oxan-2-yloxy)azetidin-3-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 167312247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).