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

C13H28O4Si — CID 11011269

IUPAC(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
SMILESCC1(C)OC[C@@H]([C@H](O)CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C13H28O4Si/c1-12(2,3)18(6,7)16-8-10(14)11-9-15-13(4,5)17-11/h10-11,14H,8-9H2,1-7H3/t10-,11+/m1/s1
InChIKeyBJUDXLGPJJWXBQ-MNOVXSKESA-N
MW276.45 g/mol
LogP2.52
Rot. Bonds4

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

(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol (PubChem CID 11011269) has the molecular formula C13H28O4Si and a molecular weight of 276.45 g/mol. Its IUPAC name is (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol.

Molecular Properties

Compound Name(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
PubChem CID11011269
Molecular FormulaC13H28O4Si
Molecular Weight276.45 g/mol
Exact Mass276.18
IUPAC Name(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol
SMILESCC1(C)OC[C@@H]([C@H](O)CO[Si](C)(C)C(C)(C)C)O1
InChIInChI=1S/C13H28O4Si/c1-12(2,3)18(6,7)16-8-10(14)11-9-15-13(4,5)17-11/h10-11,14H,8-9H2,1-7H3/t10-,11+/m1/s1
InChIKeyBJUDXLGPJJWXBQ-MNOVXSKESA-N
XLogP2.52
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 52.52
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 (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol?
The IUPAC name of (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol (CID 11011269) is (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol.
What is the SMILES notation for (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol?
The canonical SMILES for (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol is CC1(C)OC[C@@H]([C@H](O)CO[Si](C)(C)C(C)(C)C)O1.
What is the InChIKey of (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol?
The InChIKey is BJUDXLGPJJWXBQ-MNOVXSKESA-N. The full InChI is InChI=1S/C13H28O4Si/c1-12(2,3)18(6,7)16-8-10(14)11-9-15-13(4,5)17-11/h10-11,14H,8-9H2,1-7H3/t10-,11+/m1/s1.
What are the key properties of (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol?
(1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol has a molecular weight of 276.45 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[tert-butyl(dimethyl)silyl]oxy-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol is sourced from PubChem (CID 11011269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).