(2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)butan-1-ol

C12H28O4Si — CID 11747483

IUPAC(2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)butan-1-ol
SMILESCOCO[C@@H](CO)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H28O4Si/c1-12(2,3)17(5,6)16-8-7-11(9-13)15-10-14-4/h11,13H,7-10H2,1-6H3/t11-/m1/s1
InChIKeyWQPHLTFXLRCWDH-LLVKDONJSA-N
MW264.44 g/mol
LogP2.38
Rot. Bonds8

About (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)butan-1-ol

(2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)butan-1-ol (PubChem CID 11747483) has the molecular formula C12H28O4Si and a molecular weight of 264.44 g/mol. Its IUPAC name is (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)butan-1-ol.

Molecular Properties

Compound Name(2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)butan-1-ol
PubChem CID11747483
Molecular FormulaC12H28O4Si
Molecular Weight264.44 g/mol
Exact Mass264.18
IUPAC Name(2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)butan-1-ol
SMILESCOCO[C@@H](CO)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H28O4Si/c1-12(2,3)17(5,6)16-8-7-11(9-13)15-10-14-4/h11,13H,7-10H2,1-6H3/t11-/m1/s1
InChIKeyWQPHLTFXLRCWDH-LLVKDONJSA-N
XLogP2.38
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)butan-1-ol?
The IUPAC name of (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)butan-1-ol (CID 11747483) is (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)butan-1-ol.
What is the SMILES notation for (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)butan-1-ol?
The canonical SMILES for (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)butan-1-ol is COCO[C@@H](CO)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)butan-1-ol?
The InChIKey is WQPHLTFXLRCWDH-LLVKDONJSA-N. The full InChI is InChI=1S/C12H28O4Si/c1-12(2,3)17(5,6)16-8-7-11(9-13)15-10-14-4/h11,13H,7-10H2,1-6H3/t11-/m1/s1.
What are the key properties of (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)butan-1-ol?
(2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)butan-1-ol has a molecular weight of 264.44 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[tert-butyl(dimethyl)silyl]oxy-2-(methoxymethoxy)butan-1-ol is sourced from PubChem (CID 11747483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).