(2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentane-1,3-diol

C12H28O3Si — CID 101142628

IUPAC(2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentane-1,3-diol
SMILESC[C@@H](CO)[C@H](O)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H28O3Si/c1-9(8-13)11(14)10(2)15-16(6,7)12(3,4)5/h9-11,13-14H,8H2,1-7H3/t9-,10+,11-/m0/s1
InChIKeyVGUGTMCXGPXZOU-AXFHLTTASA-N
MW248.44 g/mol
LogP2.39
Rot. Bonds5

About (2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentane-1,3-diol

(2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentane-1,3-diol (PubChem CID 101142628) has the molecular formula C12H28O3Si and a molecular weight of 248.44 g/mol. Its IUPAC name is (2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentane-1,3-diol.

Molecular Properties

Compound Name(2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentane-1,3-diol
PubChem CID101142628
Molecular FormulaC12H28O3Si
Molecular Weight248.44 g/mol
Exact Mass248.18
IUPAC Name(2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentane-1,3-diol
SMILESC[C@@H](CO)[C@H](O)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H28O3Si/c1-9(8-13)11(14)10(2)15-16(6,7)12(3,4)5/h9-11,13-14H,8H2,1-7H3/t9-,10+,11-/m0/s1
InChIKeyVGUGTMCXGPXZOU-AXFHLTTASA-N
XLogP2.39
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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 (2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentane-1,3-diol?
The IUPAC name of (2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentane-1,3-diol (CID 101142628) is (2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentane-1,3-diol.
What is the SMILES notation for (2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentane-1,3-diol?
The canonical SMILES for (2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentane-1,3-diol is C[C@@H](CO)[C@H](O)[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentane-1,3-diol?
The InChIKey is VGUGTMCXGPXZOU-AXFHLTTASA-N. The full InChI is InChI=1S/C12H28O3Si/c1-9(8-13)11(14)10(2)15-16(6,7)12(3,4)5/h9-11,13-14H,8H2,1-7H3/t9-,10+,11-/m0/s1.
What are the key properties of (2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentane-1,3-diol?
(2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentane-1,3-diol has a molecular weight of 248.44 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-methylpentane-1,3-diol is sourced from PubChem (CID 101142628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).