(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxypentan-3-ol

C11H26O2Si — CID 58012768

IUPAC(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxypentan-3-ol
SMILESCC[C@H](O)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H26O2Si/c1-8-10(12)9(2)13-14(6,7)11(3,4)5/h9-10,12H,8H2,1-7H3/t9-,10-/m0/s1
InChIKeyBOVBHCSSKFOTNE-UWVGGRQHSA-N
MW218.41 g/mol
LogP3.17
Rot. Bonds4

About (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxypentan-3-ol

(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxypentan-3-ol (PubChem CID 58012768) has the molecular formula C11H26O2Si and a molecular weight of 218.41 g/mol. Its IUPAC name is (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxypentan-3-ol.

Molecular Properties

Compound Name(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxypentan-3-ol
PubChem CID58012768
Molecular FormulaC11H26O2Si
Molecular Weight218.41 g/mol
Exact Mass218.17
IUPAC Name(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxypentan-3-ol
SMILESCC[C@H](O)[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C11H26O2Si/c1-8-10(12)9(2)13-14(6,7)11(3,4)5/h9-10,12H,8H2,1-7H3/t9-,10-/m0/s1
InChIKeyBOVBHCSSKFOTNE-UWVGGRQHSA-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 (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxypentan-3-ol?
The IUPAC name of (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxypentan-3-ol (CID 58012768) is (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxypentan-3-ol.
What is the SMILES notation for (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxypentan-3-ol?
The canonical SMILES for (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxypentan-3-ol is CC[C@H](O)[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxypentan-3-ol?
The InChIKey is BOVBHCSSKFOTNE-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H26O2Si/c1-8-10(12)9(2)13-14(6,7)11(3,4)5/h9-10,12H,8H2,1-7H3/t9-,10-/m0/s1.
What are the key properties of (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxypentan-3-ol?
(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxypentan-3-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 (2S,3S)-2-[tert-butyl(dimethyl)silyl]oxypentan-3-ol is sourced from PubChem (CID 58012768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).