(2S)-2-[tert-butyl(dimethyl)silyl]oxypropan-1-ol

C9H22O2Si — CID 15688069

IUPAC(2S)-2-[tert-butyl(dimethyl)silyl]oxypropan-1-ol
SMILESC[C@@H](CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C9H22O2Si/c1-8(7-10)11-12(5,6)9(2,3)4/h8,10H,7H2,1-6H3/t8-/m0/s1
InChIKeyFRYOCKYIGKFINL-QMMMGPOBSA-N
MW190.36 g/mol
LogP2.39
Rot. Bonds3

About (2S)-2-[tert-butyl(dimethyl)silyl]oxypropan-1-ol

(2S)-2-[tert-butyl(dimethyl)silyl]oxypropan-1-ol (PubChem CID 15688069) has the molecular formula C9H22O2Si and a molecular weight of 190.36 g/mol. Its IUPAC name is (2S)-2-[tert-butyl(dimethyl)silyl]oxypropan-1-ol.

Molecular Properties

Compound Name(2S)-2-[tert-butyl(dimethyl)silyl]oxypropan-1-ol
PubChem CID15688069
Molecular FormulaC9H22O2Si
Molecular Weight190.36 g/mol
Exact Mass190.14
IUPAC Name(2S)-2-[tert-butyl(dimethyl)silyl]oxypropan-1-ol
SMILESC[C@@H](CO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C9H22O2Si/c1-8(7-10)11-12(5,6)9(2,3)4/h8,10H,7H2,1-6H3/t8-/m0/s1
InChIKeyFRYOCKYIGKFINL-QMMMGPOBSA-N
XLogP2.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.36
LogP ≤ 52.39
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)-2-[tert-butyl(dimethyl)silyl]oxypropan-1-ol?
The IUPAC name of (2S)-2-[tert-butyl(dimethyl)silyl]oxypropan-1-ol (CID 15688069) is (2S)-2-[tert-butyl(dimethyl)silyl]oxypropan-1-ol.
What is the SMILES notation for (2S)-2-[tert-butyl(dimethyl)silyl]oxypropan-1-ol?
The canonical SMILES for (2S)-2-[tert-butyl(dimethyl)silyl]oxypropan-1-ol is C[C@@H](CO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S)-2-[tert-butyl(dimethyl)silyl]oxypropan-1-ol?
The InChIKey is FRYOCKYIGKFINL-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H22O2Si/c1-8(7-10)11-12(5,6)9(2,3)4/h8,10H,7H2,1-6H3/t8-/m0/s1.
What are the key properties of (2S)-2-[tert-butyl(dimethyl)silyl]oxypropan-1-ol?
(2S)-2-[tert-butyl(dimethyl)silyl]oxypropan-1-ol has a molecular weight of 190.36 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[tert-butyl(dimethyl)silyl]oxypropan-1-ol is sourced from PubChem (CID 15688069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).