(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol

C23H32O4Si — CID 15907687

IUPAC(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
SMILESCC1(C)OC[C@@H]([C@@H](O)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C23H32O4Si/c1-22(2,3)28(18-12-8-6-9-13-18,19-14-10-7-11-15-19)26-16-20(24)21-17-25-23(4,5)27-21/h6-15,20-21,24H,16-17H2,1-5H3/t20-,21-/m0/s1
InChIKeyXBGPJFHHYMPEAM-SFTDATJTSA-N
MW400.59 g/mol
LogP3.08
Rot. Bonds6

About (1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol

(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol (PubChem CID 15907687) has the molecular formula C23H32O4Si and a molecular weight of 400.59 g/mol. Its IUPAC name is (1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol.

Molecular Properties

Compound Name(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
PubChem CID15907687
Molecular FormulaC23H32O4Si
Molecular Weight400.59 g/mol
Exact Mass400.21
IUPAC Name(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
SMILESCC1(C)OC[C@@H]([C@@H](O)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C23H32O4Si/c1-22(2,3)28(18-12-8-6-9-13-18,19-14-10-7-11-15-19)26-16-20(24)21-17-25-23(4,5)27-21/h6-15,20-21,24H,16-17H2,1-5H3/t20-,21-/m0/s1
InChIKeyXBGPJFHHYMPEAM-SFTDATJTSA-N
XLogP3.08
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.59
LogP ≤ 53.08
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 (1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol?
The IUPAC name of (1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol (CID 15907687) is (1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol.
What is the SMILES notation for (1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol?
The canonical SMILES for (1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol is CC1(C)OC[C@@H]([C@@H](O)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1.
What is the InChIKey of (1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol?
The InChIKey is XBGPJFHHYMPEAM-SFTDATJTSA-N. The full InChI is InChI=1S/C23H32O4Si/c1-22(2,3)28(18-12-8-6-9-13-18,19-14-10-7-11-15-19)26-16-20(24)21-17-25-23(4,5)27-21/h6-15,20-21,24H,16-17H2,1-5H3/t20-,21-/m0/s1.
What are the key properties of (1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol?
(1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol has a molecular weight of 400.59 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol is sourced from PubChem (CID 15907687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).