tert-butyl-[(2R)-2-methoxy-3-octadecoxypropoxy]-dimethylsilane

C28H60O3Si — CID 156835466

IUPACtert-butyl-[(2R)-2-methoxy-3-octadecoxypropoxy]-dimethylsilane
SMILESCCCCCCCCCCCCCCCCCCOC[C@H](CO[Si](C)(C)C(C)(C)C)OC
InChIInChI=1S/C28H60O3Si/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30-25-27(29-5)26-31-32(6,7)28(2,3)4/h27H,8-26H2,1-7H3/t27-/m1/s1
InChIKeyATKYSBIJDATPFU-HHHXNRCGSA-N
MW472.87 g/mol
LogP9.30
Rot. Bonds23

About tert-butyl-[(2R)-2-methoxy-3-octadecoxypropoxy]-dimethylsilane

tert-butyl-[(2R)-2-methoxy-3-octadecoxypropoxy]-dimethylsilane (PubChem CID 156835466) has the molecular formula C28H60O3Si and a molecular weight of 472.87 g/mol. Its IUPAC name is tert-butyl-[(2R)-2-methoxy-3-octadecoxypropoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2R)-2-methoxy-3-octadecoxypropoxy]-dimethylsilane
PubChem CID156835466
Molecular FormulaC28H60O3Si
Molecular Weight472.87 g/mol
Exact Mass472.43
IUPAC Nametert-butyl-[(2R)-2-methoxy-3-octadecoxypropoxy]-dimethylsilane
SMILESCCCCCCCCCCCCCCCCCCOC[C@H](CO[Si](C)(C)C(C)(C)C)OC
InChIInChI=1S/C28H60O3Si/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30-25-27(29-5)26-31-32(6,7)28(2,3)4/h27H,8-26H2,1-7H3/t27-/m1/s1
InChIKeyATKYSBIJDATPFU-HHHXNRCGSA-N
XLogP9.30
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds23
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.87
LogP ≤ 59.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(2R)-2-methoxy-3-octadecoxypropoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2R)-2-methoxy-3-octadecoxypropoxy]-dimethylsilane (CID 156835466) is tert-butyl-[(2R)-2-methoxy-3-octadecoxypropoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2R)-2-methoxy-3-octadecoxypropoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2R)-2-methoxy-3-octadecoxypropoxy]-dimethylsilane is CCCCCCCCCCCCCCCCCCOC[C@H](CO[Si](C)(C)C(C)(C)C)OC.
What is the InChIKey of tert-butyl-[(2R)-2-methoxy-3-octadecoxypropoxy]-dimethylsilane?
The InChIKey is ATKYSBIJDATPFU-HHHXNRCGSA-N. The full InChI is InChI=1S/C28H60O3Si/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30-25-27(29-5)26-31-32(6,7)28(2,3)4/h27H,8-26H2,1-7H3/t27-/m1/s1.
What are the key properties of tert-butyl-[(2R)-2-methoxy-3-octadecoxypropoxy]-dimethylsilane?
tert-butyl-[(2R)-2-methoxy-3-octadecoxypropoxy]-dimethylsilane has a molecular weight of 472.87 g/mol, XLogP of 9.30, 23 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R)-2-methoxy-3-octadecoxypropoxy]-dimethylsilane is sourced from PubChem (CID 156835466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).