(1R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[(2R,5S)-5-[(1S)-4-[tert-butyl(diphenyl)silyl]oxy-1-hydroxybutyl]oxolan-2-yl]butan-1-ol

C44H60O5Si2 — CID 11858511

IUPAC(1R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[(2R,5S)-5-[(1S)-4-[tert-butyl(diphenyl)silyl]oxy-1-hydroxybutyl]oxolan-2-yl]butan-1-ol
SMILESCC(C)(C)[Si](OCCC[C@@H](O)[C@H]1CC[C@@H]([C@@H](O)CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C44H60O5Si2/c1-43(2,3)50(35-21-11-7-12-22-35,36-23-13-8-14-24-36)47-33-19-29-39(45)41-31-32-42(49-41)40(46)30-20-34-48-51(44(4,5)6,37-25-15-9-16-26-37)38-27-17-10-18-28-38/h7-18,21-28,39-42,45-46H,19-20,29-34H2,1-6H3/t39-,40+,41-,42+
InChIKeyANWQIBGEOJZKFH-LDCYWHLHSA-N
MW725.13 g/mol
LogP6.97
Rot. Bonds16

About (1R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[(2R,5S)-5-[(1S)-4-[tert-butyl(diphenyl)silyl]oxy-1-hydroxybutyl]oxolan-2-yl]butan-1-ol

(1R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[(2R,5S)-5-[(1S)-4-[tert-butyl(diphenyl)silyl]oxy-1-hydroxybutyl]oxolan-2-yl]butan-1-ol (PubChem CID 11858511) has the molecular formula C44H60O5Si2 and a molecular weight of 725.13 g/mol. Its IUPAC name is (1R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[(2R,5S)-5-[(1S)-4-[tert-butyl(diphenyl)silyl]oxy-1-hydroxybutyl]oxolan-2-yl]butan-1-ol.

Molecular Properties

Compound Name(1R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[(2R,5S)-5-[(1S)-4-[tert-butyl(diphenyl)silyl]oxy-1-hydroxybutyl]oxolan-2-yl]butan-1-ol
PubChem CID11858511
Molecular FormulaC44H60O5Si2
Molecular Weight725.13 g/mol
Exact Mass724.40
IUPAC Name(1R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[(2R,5S)-5-[(1S)-4-[tert-butyl(diphenyl)silyl]oxy-1-hydroxybutyl]oxolan-2-yl]butan-1-ol
SMILESCC(C)(C)[Si](OCCC[C@@H](O)[C@H]1CC[C@@H]([C@@H](O)CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C44H60O5Si2/c1-43(2,3)50(35-21-11-7-12-22-35,36-23-13-8-14-24-36)47-33-19-29-39(45)41-31-32-42(49-41)40(46)30-20-34-48-51(44(4,5)6,37-25-15-9-16-26-37)38-27-17-10-18-28-38/h7-18,21-28,39-42,45-46H,19-20,29-34H2,1-6H3/t39-,40+,41-,42+
InChIKeyANWQIBGEOJZKFH-LDCYWHLHSA-N
XLogP6.97
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.13
LogP ≤ 56.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 (1R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[(2R,5S)-5-[(1S)-4-[tert-butyl(diphenyl)silyl]oxy-1-hydroxybutyl]oxolan-2-yl]butan-1-ol?
The IUPAC name of (1R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[(2R,5S)-5-[(1S)-4-[tert-butyl(diphenyl)silyl]oxy-1-hydroxybutyl]oxolan-2-yl]butan-1-ol (CID 11858511) is (1R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[(2R,5S)-5-[(1S)-4-[tert-butyl(diphenyl)silyl]oxy-1-hydroxybutyl]oxolan-2-yl]butan-1-ol.
What is the SMILES notation for (1R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[(2R,5S)-5-[(1S)-4-[tert-butyl(diphenyl)silyl]oxy-1-hydroxybutyl]oxolan-2-yl]butan-1-ol?
The canonical SMILES for (1R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[(2R,5S)-5-[(1S)-4-[tert-butyl(diphenyl)silyl]oxy-1-hydroxybutyl]oxolan-2-yl]butan-1-ol is CC(C)(C)[Si](OCCC[C@@H](O)[C@H]1CC[C@@H]([C@@H](O)CCCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (1R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[(2R,5S)-5-[(1S)-4-[tert-butyl(diphenyl)silyl]oxy-1-hydroxybutyl]oxolan-2-yl]butan-1-ol?
The InChIKey is ANWQIBGEOJZKFH-LDCYWHLHSA-N. The full InChI is InChI=1S/C44H60O5Si2/c1-43(2,3)50(35-21-11-7-12-22-35,36-23-13-8-14-24-36)47-33-19-29-39(45)41-31-32-42(49-41)40(46)30-20-34-48-51(44(4,5)6,37-25-15-9-16-26-37)38-27-17-10-18-28-38/h7-18,21-28,39-42,45-46H,19-20,29-34H2,1-6H3/t39-,40+,41-,42+.
What are the key properties of (1R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[(2R,5S)-5-[(1S)-4-[tert-butyl(diphenyl)silyl]oxy-1-hydroxybutyl]oxolan-2-yl]butan-1-ol?
(1R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[(2R,5S)-5-[(1S)-4-[tert-butyl(diphenyl)silyl]oxy-1-hydroxybutyl]oxolan-2-yl]butan-1-ol has a molecular weight of 725.13 g/mol, XLogP of 6.97, 16 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-[tert-butyl(diphenyl)silyl]oxy-1-[(2R,5S)-5-[(1S)-4-[tert-butyl(diphenyl)silyl]oxy-1-hydroxybutyl]oxolan-2-yl]butan-1-ol is sourced from PubChem (CID 11858511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).