(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-octadecoxypropan-2-ol

C27H58O3Si — CID 10790085

IUPAC(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-octadecoxypropan-2-ol
SMILESCCCCCCCCCCCCCCCCCCOC[C@@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H58O3Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29-24-26(28)25-30-31(5,6)27(2,3)4/h26,28H,7-25H2,1-6H3/t26-/m1/s1
InChIKeyIPPDBKCMCJZKLS-AREMUKBSSA-N
MW458.84 g/mol
LogP8.65
Rot. Bonds22

About (2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-octadecoxypropan-2-ol

(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-octadecoxypropan-2-ol (PubChem CID 10790085) has the molecular formula C27H58O3Si and a molecular weight of 458.84 g/mol. Its IUPAC name is (2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-octadecoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-octadecoxypropan-2-ol
PubChem CID10790085
Molecular FormulaC27H58O3Si
Molecular Weight458.84 g/mol
Exact Mass458.42
IUPAC Name(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-octadecoxypropan-2-ol
SMILESCCCCCCCCCCCCCCCCCCOC[C@@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C27H58O3Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29-24-26(28)25-30-31(5,6)27(2,3)4/h26,28H,7-25H2,1-6H3/t26-/m1/s1
InChIKeyIPPDBKCMCJZKLS-AREMUKBSSA-N
XLogP8.65
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.84
LogP ≤ 58.65
H-Bond Donors ≤ 51
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 (2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-octadecoxypropan-2-ol?
The IUPAC name of (2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-octadecoxypropan-2-ol (CID 10790085) is (2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-octadecoxypropan-2-ol.
What is the SMILES notation for (2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-octadecoxypropan-2-ol?
The canonical SMILES for (2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-octadecoxypropan-2-ol is CCCCCCCCCCCCCCCCCCOC[C@@H](O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-octadecoxypropan-2-ol?
The InChIKey is IPPDBKCMCJZKLS-AREMUKBSSA-N. The full InChI is InChI=1S/C27H58O3Si/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-29-24-26(28)25-30-31(5,6)27(2,3)4/h26,28H,7-25H2,1-6H3/t26-/m1/s1.
What are the key properties of (2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-octadecoxypropan-2-ol?
(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-octadecoxypropan-2-ol has a molecular weight of 458.84 g/mol, XLogP of 8.65, 22 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-octadecoxypropan-2-ol is sourced from PubChem (CID 10790085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).