(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-ol

C12H28O2Si — CID 58012763

IUPAC(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H28O2Si/c1-11(2,3)10(13)9-14-15(7,8)12(4,5)6/h10,13H,9H2,1-8H3/t10-/m1/s1
InChIKeyAAJKOQWBSODMSA-SNVBAGLBSA-N
MW232.44 g/mol
LogP3.42
Rot. Bonds3

About (2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-ol

(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-ol (PubChem CID 58012763) has the molecular formula C12H28O2Si and a molecular weight of 232.44 g/mol. Its IUPAC name is (2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-ol
PubChem CID58012763
Molecular FormulaC12H28O2Si
Molecular Weight232.44 g/mol
Exact Mass232.19
IUPAC Name(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-ol
SMILESCC(C)(C)[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H28O2Si/c1-11(2,3)10(13)9-14-15(7,8)12(4,5)6/h10,13H,9H2,1-8H3/t10-/m1/s1
InChIKeyAAJKOQWBSODMSA-SNVBAGLBSA-N
XLogP3.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.44
LogP ≤ 53.42
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)-1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-ol?
The IUPAC name of (2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-ol (CID 58012763) is (2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-ol.
What is the SMILES notation for (2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-ol?
The canonical SMILES for (2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-ol is CC(C)(C)[C@H](O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-ol?
The InChIKey is AAJKOQWBSODMSA-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H28O2Si/c1-11(2,3)10(13)9-14-15(7,8)12(4,5)6/h10,13H,9H2,1-8H3/t10-/m1/s1.
What are the key properties of (2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-ol?
(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-ol has a molecular weight of 232.44 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylbutan-2-ol is sourced from PubChem (CID 58012763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).