[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl] pentadecanoate

C40H68O4Si2 — CID 134873509

IUPAC[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl] pentadecanoate
SMILESCCCCCCCCCCCCCCC(=O)OC[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C40H68O4Si2/c1-10-11-12-13-14-15-16-17-18-19-20-27-32-38(41)42-33-35(44-45(8,9)39(2,3)4)34-43-46(40(5,6)7,36-28-23-21-24-29-36)37-30-25-22-26-31-37/h21-26,28-31,35H,10-20,27,32-34H2,1-9H3/t35-/m1/s1
InChIKeyGAODAEWFLGUFQB-PGUFJCEWSA-N
MW669.15 g/mol
LogP10.59
Rot. Bonds22

About [(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl] pentadecanoate

[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl] pentadecanoate (PubChem CID 134873509) has the molecular formula C40H68O4Si2 and a molecular weight of 669.15 g/mol. Its IUPAC name is [(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl] pentadecanoate.

Molecular Properties

Compound Name[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl] pentadecanoate
PubChem CID134873509
Molecular FormulaC40H68O4Si2
Molecular Weight669.15 g/mol
Exact Mass668.47
IUPAC Name[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl] pentadecanoate
SMILESCCCCCCCCCCCCCCC(=O)OC[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C40H68O4Si2/c1-10-11-12-13-14-15-16-17-18-19-20-27-32-38(41)42-33-35(44-45(8,9)39(2,3)4)34-43-46(40(5,6)7,36-28-23-21-24-29-36)37-30-25-22-26-31-37/h21-26,28-31,35H,10-20,27,32-34H2,1-9H3/t35-/m1/s1
InChIKeyGAODAEWFLGUFQB-PGUFJCEWSA-N
XLogP10.59
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds22
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.15
LogP ≤ 510.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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)-2-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl] pentadecanoate?
The IUPAC name of [(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl] pentadecanoate (CID 134873509) is [(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl] pentadecanoate.
What is the SMILES notation for [(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl] pentadecanoate?
The canonical SMILES for [(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl] pentadecanoate is CCCCCCCCCCCCCCC(=O)OC[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl] pentadecanoate?
The InChIKey is GAODAEWFLGUFQB-PGUFJCEWSA-N. The full InChI is InChI=1S/C40H68O4Si2/c1-10-11-12-13-14-15-16-17-18-19-20-27-32-38(41)42-33-35(44-45(8,9)39(2,3)4)34-43-46(40(5,6)7,36-28-23-21-24-29-36)37-30-25-22-26-31-37/h21-26,28-31,35H,10-20,27,32-34H2,1-9H3/t35-/m1/s1.
What are the key properties of [(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl] pentadecanoate?
[(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl] pentadecanoate has a molecular weight of 669.15 g/mol, XLogP of 10.59, 22 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3-[tert-butyl(diphenyl)silyl]oxypropyl] pentadecanoate is sourced from PubChem (CID 134873509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).