(2R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentane-1,2-diol

C12H28O3Si — CID 24755953

IUPAC(2R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentane-1,2-diol
SMILESC[C@@H](CO[Si](C)(C)C(C)(C)C)C[C@@H](O)CO
InChIInChI=1S/C12H28O3Si/c1-10(7-11(14)8-13)9-15-16(5,6)12(2,3)4/h10-11,13-14H,7-9H2,1-6H3/t10-,11-/m1/s1
InChIKeySERAXFSAKFFENQ-GHMZBOCLSA-N
MW248.44 g/mol
LogP2.39
Rot. Bonds6

About (2R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentane-1,2-diol

(2R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentane-1,2-diol (PubChem CID 24755953) has the molecular formula C12H28O3Si and a molecular weight of 248.44 g/mol. Its IUPAC name is (2R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentane-1,2-diol.

Molecular Properties

Compound Name(2R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentane-1,2-diol
PubChem CID24755953
Molecular FormulaC12H28O3Si
Molecular Weight248.44 g/mol
Exact Mass248.18
IUPAC Name(2R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentane-1,2-diol
SMILESC[C@@H](CO[Si](C)(C)C(C)(C)C)C[C@@H](O)CO
InChIInChI=1S/C12H28O3Si/c1-10(7-11(14)8-13)9-15-16(5,6)12(2,3)4/h10-11,13-14H,7-9H2,1-6H3/t10-,11-/m1/s1
InChIKeySERAXFSAKFFENQ-GHMZBOCLSA-N
XLogP2.39
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.44
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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(dimethyl)silyl]oxy-4-methylpentane-1,2-diol?
The IUPAC name of (2R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentane-1,2-diol (CID 24755953) is (2R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentane-1,2-diol.
What is the SMILES notation for (2R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentane-1,2-diol?
The canonical SMILES for (2R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentane-1,2-diol is C[C@@H](CO[Si](C)(C)C(C)(C)C)C[C@@H](O)CO.
What is the InChIKey of (2R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentane-1,2-diol?
The InChIKey is SERAXFSAKFFENQ-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H28O3Si/c1-10(7-11(14)8-13)9-15-16(5,6)12(2,3)4/h10-11,13-14H,7-9H2,1-6H3/t10-,11-/m1/s1.
What are the key properties of (2R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentane-1,2-diol?
(2R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentane-1,2-diol has a molecular weight of 248.44 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpentane-1,2-diol is sourced from PubChem (CID 24755953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).