(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hexadecoxypropan-2-ol

C35H58O3Si — CID 14769040

IUPAC(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hexadecoxypropan-2-ol
SMILESCCCCCCCCCCCCCCCCOC[C@@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C35H58O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-24-29-37-30-32(36)31-38-39(35(2,3)4,33-25-20-18-21-26-33)34-27-22-19-23-28-34/h18-23,25-28,32,36H,5-17,24,29-31H2,1-4H3/t32-/m1/s1
InChIKeyQRQBQEICPPAWCM-JGCGQSQUSA-N
MW554.93 g/mol
LogP8.42
Rot. Bonds22

About (2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hexadecoxypropan-2-ol

(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hexadecoxypropan-2-ol (PubChem CID 14769040) has the molecular formula C35H58O3Si and a molecular weight of 554.93 g/mol. Its IUPAC name is (2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hexadecoxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hexadecoxypropan-2-ol
PubChem CID14769040
Molecular FormulaC35H58O3Si
Molecular Weight554.93 g/mol
Exact Mass554.42
IUPAC Name(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hexadecoxypropan-2-ol
SMILESCCCCCCCCCCCCCCCCOC[C@@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C35H58O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-24-29-37-30-32(36)31-38-39(35(2,3)4,33-25-20-18-21-26-33)34-27-22-19-23-28-34/h18-23,25-28,32,36H,5-17,24,29-31H2,1-4H3/t32-/m1/s1
InChIKeyQRQBQEICPPAWCM-JGCGQSQUSA-N
XLogP8.42
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.93
LogP ≤ 58.42
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(diphenyl)silyl]oxy-3-hexadecoxypropan-2-ol?
The IUPAC name of (2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hexadecoxypropan-2-ol (CID 14769040) is (2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hexadecoxypropan-2-ol.
What is the SMILES notation for (2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hexadecoxypropan-2-ol?
The canonical SMILES for (2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hexadecoxypropan-2-ol is CCCCCCCCCCCCCCCCOC[C@@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hexadecoxypropan-2-ol?
The InChIKey is QRQBQEICPPAWCM-JGCGQSQUSA-N. The full InChI is InChI=1S/C35H58O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-24-29-37-30-32(36)31-38-39(35(2,3)4,33-25-20-18-21-26-33)34-27-22-19-23-28-34/h18-23,25-28,32,36H,5-17,24,29-31H2,1-4H3/t32-/m1/s1.
What are the key properties of (2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hexadecoxypropan-2-ol?
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-hexadecoxypropan-2-ol has a molecular weight of 554.93 g/mol, XLogP of 8.42, 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(diphenyl)silyl]oxy-3-hexadecoxypropan-2-ol is sourced from PubChem (CID 14769040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).