(2R,3S)-2-(2-tert-butylsilyloxypropan-2-yl)oxan-3-ol

C12H26O3Si — CID 154192723

IUPAC(2R,3S)-2-(2-tert-butylsilyloxypropan-2-yl)oxan-3-ol
SMILESCC(C)(C)[SiH2]OC(C)(C)[C@@H]1OCCC[C@@H]1O
InChIInChI=1S/C12H26O3Si/c1-11(2,3)16-15-12(4,5)10-9(13)7-6-8-14-10/h9-10,13H,6-8,16H2,1-5H3/t9-,10+/m0/s1
InChIKeyKQNANHMAQYQMOP-VHSXEESVSA-N
MW246.42 g/mol
LogP1.62
Rot. Bonds3

About (2R,3S)-2-(2-tert-butylsilyloxypropan-2-yl)oxan-3-ol

(2R,3S)-2-(2-tert-butylsilyloxypropan-2-yl)oxan-3-ol (PubChem CID 154192723) has the molecular formula C12H26O3Si and a molecular weight of 246.42 g/mol. Its IUPAC name is (2R,3S)-2-(2-tert-butylsilyloxypropan-2-yl)oxan-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-(2-tert-butylsilyloxypropan-2-yl)oxan-3-ol
PubChem CID154192723
Molecular FormulaC12H26O3Si
Molecular Weight246.42 g/mol
Exact Mass246.17
IUPAC Name(2R,3S)-2-(2-tert-butylsilyloxypropan-2-yl)oxan-3-ol
SMILESCC(C)(C)[SiH2]OC(C)(C)[C@@H]1OCCC[C@@H]1O
InChIInChI=1S/C12H26O3Si/c1-11(2,3)16-15-12(4,5)10-9(13)7-6-8-14-10/h9-10,13H,6-8,16H2,1-5H3/t9-,10+/m0/s1
InChIKeyKQNANHMAQYQMOP-VHSXEESVSA-N
XLogP1.62
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.42
LogP ≤ 51.62
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,3S)-2-(2-tert-butylsilyloxypropan-2-yl)oxan-3-ol?
The IUPAC name of (2R,3S)-2-(2-tert-butylsilyloxypropan-2-yl)oxan-3-ol (CID 154192723) is (2R,3S)-2-(2-tert-butylsilyloxypropan-2-yl)oxan-3-ol.
What is the SMILES notation for (2R,3S)-2-(2-tert-butylsilyloxypropan-2-yl)oxan-3-ol?
The canonical SMILES for (2R,3S)-2-(2-tert-butylsilyloxypropan-2-yl)oxan-3-ol is CC(C)(C)[SiH2]OC(C)(C)[C@@H]1OCCC[C@@H]1O.
What is the InChIKey of (2R,3S)-2-(2-tert-butylsilyloxypropan-2-yl)oxan-3-ol?
The InChIKey is KQNANHMAQYQMOP-VHSXEESVSA-N. The full InChI is InChI=1S/C12H26O3Si/c1-11(2,3)16-15-12(4,5)10-9(13)7-6-8-14-10/h9-10,13H,6-8,16H2,1-5H3/t9-,10+/m0/s1.
What are the key properties of (2R,3S)-2-(2-tert-butylsilyloxypropan-2-yl)oxan-3-ol?
(2R,3S)-2-(2-tert-butylsilyloxypropan-2-yl)oxan-3-ol has a molecular weight of 246.42 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(2-tert-butylsilyloxypropan-2-yl)oxan-3-ol is sourced from PubChem (CID 154192723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).