(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxypentan-2-ol

C11H26O2Si — CID 129405182

IUPAC(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxypentan-2-ol
SMILESC[C@H](C[C@@H](C)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H26O2Si/c1-9(12)8-10(2)13-14(6,7)11(3,4)5/h9-10,12H,8H2,1-7H3/t9-,10-/m1/s1
InChIKeyNUPRWPCQZXFRAV-NXEZZACHSA-N
MW218.41 g/mol
LogP3.17
Rot. Bonds4

About (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxypentan-2-ol

(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxypentan-2-ol (PubChem CID 129405182) has the molecular formula C11H26O2Si and a molecular weight of 218.41 g/mol. Its IUPAC name is (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxypentan-2-ol.

Molecular Properties

Compound Name(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxypentan-2-ol
PubChem CID129405182
Molecular FormulaC11H26O2Si
Molecular Weight218.41 g/mol
Exact Mass218.17
IUPAC Name(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxypentan-2-ol
SMILESC[C@H](C[C@@H](C)O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H26O2Si/c1-9(12)8-10(2)13-14(6,7)11(3,4)5/h9-10,12H,8H2,1-7H3/t9-,10-/m1/s1
InChIKeyNUPRWPCQZXFRAV-NXEZZACHSA-N
XLogP3.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-4-[tert-butyl(dimethyl)silyl]oxypentan-2-ol?
The IUPAC name of (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxypentan-2-ol (CID 129405182) is (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxypentan-2-ol.
What is the SMILES notation for (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxypentan-2-ol?
The canonical SMILES for (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxypentan-2-ol is C[C@H](C[C@@H](C)O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxypentan-2-ol?
The InChIKey is NUPRWPCQZXFRAV-NXEZZACHSA-N. The full InChI is InChI=1S/C11H26O2Si/c1-9(12)8-10(2)13-14(6,7)11(3,4)5/h9-10,12H,8H2,1-7H3/t9-,10-/m1/s1.
What are the key properties of (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxypentan-2-ol?
(2R,4R)-4-[tert-butyl(dimethyl)silyl]oxypentan-2-ol has a molecular weight of 218.41 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-[tert-butyl(dimethyl)silyl]oxypentan-2-ol is sourced from PubChem (CID 129405182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).