(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-yloxypropan-2-ol

C12H28O3Si — CID 86619886

IUPAC(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OC[C@@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H28O3Si/c1-10(2)14-8-11(13)9-15-16(6,7)12(3,4)5/h10-11,13H,8-9H2,1-7H3/t11-/m1/s1
InChIKeyCOTPUKXQOGPMMH-LLVKDONJSA-N
MW248.44 g/mol
LogP2.79
Rot. Bonds6

About (2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-yloxypropan-2-ol

(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-yloxypropan-2-ol (PubChem CID 86619886) has the molecular formula C12H28O3Si and a molecular weight of 248.44 g/mol. Its IUPAC name is (2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-yloxypropan-2-ol
PubChem CID86619886
Molecular FormulaC12H28O3Si
Molecular Weight248.44 g/mol
Exact Mass248.18
IUPAC Name(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OC[C@@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H28O3Si/c1-10(2)14-8-11(13)9-15-16(6,7)12(3,4)5/h10-11,13H,8-9H2,1-7H3/t11-/m1/s1
InChIKeyCOTPUKXQOGPMMH-LLVKDONJSA-N
XLogP2.79
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.44
LogP ≤ 52.79
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 (2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-yloxypropan-2-ol?
The IUPAC name of (2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-yloxypropan-2-ol (CID 86619886) is (2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for (2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for (2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-yloxypropan-2-ol is CC(C)OC[C@@H](O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-yloxypropan-2-ol?
The InChIKey is COTPUKXQOGPMMH-LLVKDONJSA-N. The full InChI is InChI=1S/C12H28O3Si/c1-10(2)14-8-11(13)9-15-16(6,7)12(3,4)5/h10-11,13H,8-9H2,1-7H3/t11-/m1/s1.
What are the key properties of (2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-yloxypropan-2-ol?
(2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-yloxypropan-2-ol has a molecular weight of 248.44 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 86619886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).