(2R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-ol

C27H40O4Si — CID 140702952

IUPAC(2R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-ol
SMILESC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@@](C)(O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C27H40O4Si/c1-21(18-27(7,28)24-20-29-26(5,6)31-24)19-30-32(25(2,3)4,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h8-17,21,24,28H,18-20H2,1-7H3/t21-,24-,27-/m1/s1
InChIKeyUVEZSDNHENLLEL-GNMGOMLTSA-N
MW456.70 g/mol
LogP4.49
Rot. Bonds8

About (2R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-ol

(2R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-ol (PubChem CID 140702952) has the molecular formula C27H40O4Si and a molecular weight of 456.70 g/mol. Its IUPAC name is (2R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-ol.

Molecular Properties

Compound Name(2R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-ol
PubChem CID140702952
Molecular FormulaC27H40O4Si
Molecular Weight456.70 g/mol
Exact Mass456.27
IUPAC Name(2R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-ol
SMILESC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@@](C)(O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C27H40O4Si/c1-21(18-27(7,28)24-20-29-26(5,6)31-24)19-30-32(25(2,3)4,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h8-17,21,24,28H,18-20H2,1-7H3/t21-,24-,27-/m1/s1
InChIKeyUVEZSDNHENLLEL-GNMGOMLTSA-N
XLogP4.49
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.70
LogP ≤ 54.49
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,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-ol?
The IUPAC name of (2R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-ol (CID 140702952) is (2R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-ol.
What is the SMILES notation for (2R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-ol?
The canonical SMILES for (2R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-ol is C[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@@](C)(O)[C@H]1COC(C)(C)O1.
What is the InChIKey of (2R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-ol?
The InChIKey is UVEZSDNHENLLEL-GNMGOMLTSA-N. The full InChI is InChI=1S/C27H40O4Si/c1-21(18-27(7,28)24-20-29-26(5,6)31-24)19-30-32(25(2,3)4,22-14-10-8-11-15-22)23-16-12-9-13-17-23/h8-17,21,24,28H,18-20H2,1-7H3/t21-,24-,27-/m1/s1.
What are the key properties of (2R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-ol?
(2R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-ol has a molecular weight of 456.70 g/mol, XLogP of 4.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methylpentan-2-ol is sourced from PubChem (CID 140702952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).