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

C10H24O2Si — CID 58012744

IUPAC(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-ol
SMILESC[C@H](O)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H24O2Si/c1-8(11)9(2)12-13(6,7)10(3,4)5/h8-9,11H,1-7H3/t8-,9+/m0/s1
InChIKeyKMSOZLNJDBYOHD-DTWKUNHWSA-N
MW204.39 g/mol
LogP2.78
Rot. Bonds3

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

(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-ol (PubChem CID 58012744) has the molecular formula C10H24O2Si and a molecular weight of 204.39 g/mol. Its IUPAC name is (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-ol.

Molecular Properties

Compound Name(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-ol
PubChem CID58012744
Molecular FormulaC10H24O2Si
Molecular Weight204.39 g/mol
Exact Mass204.15
IUPAC Name(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-ol
SMILESC[C@H](O)[C@@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C10H24O2Si/c1-8(11)9(2)12-13(6,7)10(3,4)5/h8-9,11H,1-7H3/t8-,9+/m0/s1
InChIKeyKMSOZLNJDBYOHD-DTWKUNHWSA-N
XLogP2.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.39
LogP ≤ 52.78
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,3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-ol?
The IUPAC name of (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-ol (CID 58012744) is (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-ol.
What is the SMILES notation for (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-ol?
The canonical SMILES for (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-ol is C[C@H](O)[C@@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-ol?
The InChIKey is KMSOZLNJDBYOHD-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H24O2Si/c1-8(11)9(2)12-13(6,7)10(3,4)5/h8-9,11H,1-7H3/t8-,9+/m0/s1.
What are the key properties of (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-ol?
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-ol has a molecular weight of 204.39 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-[tert-butyl(dimethyl)silyl]oxybutan-2-ol is sourced from PubChem (CID 58012744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).