(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

C13H30O3Si — CID 58012721

IUPAC(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCC(C)(C)OC[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H30O3Si/c1-12(2,3)15-9-11(14)10-16-17(7,8)13(4,5)6/h11,14H,9-10H2,1-8H3/t11-/m0/s1
InChIKeyNXTNPAWFLWXBMH-NSHDSACASA-N
MW262.47 g/mol
LogP3.18
Rot. Bonds5

About (2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxy]propan-2-ol

(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (PubChem CID 58012721) has the molecular formula C13H30O3Si and a molecular weight of 262.47 g/mol. Its IUPAC name is (2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
PubChem CID58012721
Molecular FormulaC13H30O3Si
Molecular Weight262.47 g/mol
Exact Mass262.20
IUPAC Name(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
SMILESCC(C)(C)OC[C@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H30O3Si/c1-12(2,3)15-9-11(14)10-16-17(7,8)13(4,5)6/h11,14H,9-10H2,1-8H3/t11-/m0/s1
InChIKeyNXTNPAWFLWXBMH-NSHDSACASA-N
XLogP3.18
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.47
LogP ≤ 53.18
H-Bond Donors ≤ 51
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)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The IUPAC name of (2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxy]propan-2-ol (CID 58012721) is (2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxy]propan-2-ol.
What is the SMILES notation for (2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The canonical SMILES for (2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is CC(C)(C)OC[C@H](O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
The InChIKey is NXTNPAWFLWXBMH-NSHDSACASA-N. The full InChI is InChI=1S/C13H30O3Si/c1-12(2,3)15-9-11(14)10-16-17(7,8)13(4,5)6/h11,14H,9-10H2,1-8H3/t11-/m0/s1.
What are the key properties of (2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxy]propan-2-ol?
(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxy]propan-2-ol has a molecular weight of 262.47 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-[(2-methylpropan-2-yl)oxy]propan-2-ol is sourced from PubChem (CID 58012721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).