(2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-ol

C12H24O3Si — CID 10657969

IUPAC(2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-ol
SMILESC[C@@H]1OC=C[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-9-11(10(13)7-8-14-9)15-16(5,6)12(2,3)4/h7-11,13H,1-6H3/t9-,10+,11-/m0/s1
InChIKeyDJXNWAAIXHFUEP-AXFHLTTASA-N
MW244.41 g/mol
LogP2.67
Rot. Bonds2

About (2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-ol

(2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-ol (PubChem CID 10657969) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is (2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-ol.

Molecular Properties

Compound Name(2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-ol
PubChem CID10657969
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name(2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-ol
SMILESC[C@@H]1OC=C[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O3Si/c1-9-11(10(13)7-8-14-9)15-16(5,6)12(2,3)4/h7-11,13H,1-6H3/t9-,10+,11-/m0/s1
InChIKeyDJXNWAAIXHFUEP-AXFHLTTASA-N
XLogP2.67
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 52.67
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,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-ol?
The IUPAC name of (2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-ol (CID 10657969) is (2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-ol.
What is the SMILES notation for (2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-ol?
The canonical SMILES for (2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-ol is C[C@@H]1OC=C[C@@H](O)[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-ol?
The InChIKey is DJXNWAAIXHFUEP-AXFHLTTASA-N. The full InChI is InChI=1S/C12H24O3Si/c1-9-11(10(13)7-8-14-9)15-16(5,6)12(2,3)4/h7-11,13H,1-6H3/t9-,10+,11-/m0/s1.
What are the key properties of (2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-ol?
(2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-ol has a molecular weight of 244.41 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3,4-dihydro-2H-pyran-4-ol is sourced from PubChem (CID 10657969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).