(2R,3R,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-[(4R)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylpentan-3-ol

C28H42O4Si — CID 134866513

IUPAC(2R,3R,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-[(4R)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylpentan-3-ol
SMILESC[C@H]([C@H](O)[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1CCOC(C)(C)O1
InChIInChI=1S/C28H42O4Si/c1-21(26(29)22(2)25-18-19-30-28(6,7)32-25)20-31-33(27(3,4)5,23-14-10-8-11-15-23)24-16-12-9-13-17-24/h8-17,21-22,25-26,29H,18-20H2,1-7H3/t21-,22+,25-,26-/m1/s1
InChIKeyJACUXROBQATXHQ-USXZWKKNSA-N
MW470.73 g/mol
LogP4.74
Rot. Bonds8

About (2R,3R,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-[(4R)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylpentan-3-ol

(2R,3R,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-[(4R)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylpentan-3-ol (PubChem CID 134866513) has the molecular formula C28H42O4Si and a molecular weight of 470.73 g/mol. Its IUPAC name is (2R,3R,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-[(4R)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylpentan-3-ol.

Molecular Properties

Compound Name(2R,3R,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-[(4R)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylpentan-3-ol
PubChem CID134866513
Molecular FormulaC28H42O4Si
Molecular Weight470.73 g/mol
Exact Mass470.29
IUPAC Name(2R,3R,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-[(4R)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylpentan-3-ol
SMILESC[C@H]([C@H](O)[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1CCOC(C)(C)O1
InChIInChI=1S/C28H42O4Si/c1-21(26(29)22(2)25-18-19-30-28(6,7)32-25)20-31-33(27(3,4)5,23-14-10-8-11-15-23)24-16-12-9-13-17-24/h8-17,21-22,25-26,29H,18-20H2,1-7H3/t21-,22+,25-,26-/m1/s1
InChIKeyJACUXROBQATXHQ-USXZWKKNSA-N
XLogP4.74
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.73
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-[(4R)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylpentan-3-ol?
The IUPAC name of (2R,3R,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-[(4R)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylpentan-3-ol (CID 134866513) is (2R,3R,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-[(4R)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylpentan-3-ol.
What is the SMILES notation for (2R,3R,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-[(4R)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylpentan-3-ol?
The canonical SMILES for (2R,3R,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-[(4R)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylpentan-3-ol is C[C@H]([C@H](O)[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@H]1CCOC(C)(C)O1.
What is the InChIKey of (2R,3R,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-[(4R)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylpentan-3-ol?
The InChIKey is JACUXROBQATXHQ-USXZWKKNSA-N. The full InChI is InChI=1S/C28H42O4Si/c1-21(26(29)22(2)25-18-19-30-28(6,7)32-25)20-31-33(27(3,4)5,23-14-10-8-11-15-23)24-16-12-9-13-17-24/h8-17,21-22,25-26,29H,18-20H2,1-7H3/t21-,22+,25-,26-/m1/s1.
What are the key properties of (2R,3R,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-[(4R)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylpentan-3-ol?
(2R,3R,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-[(4R)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylpentan-3-ol has a molecular weight of 470.73 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-1-[tert-butyl(diphenyl)silyl]oxy-4-[(4R)-2,2-dimethyl-1,3-dioxan-4-yl]-2-methylpentan-3-ol is sourced from PubChem (CID 134866513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).