(2S,3R,4S)-6-[butyl(dimethyl)silyl]-2-methyl-3,4-dihydro-2H-pyran-3,4-diol

C12H24O3Si — CID 70355099

IUPAC(2S,3R,4S)-6-[butyl(dimethyl)silyl]-2-methyl-3,4-dihydro-2H-pyran-3,4-diol
SMILESCCCC[Si](C)(C)C1=C[C@H](O)[C@@H](O)[C@H](C)O1
InChIInChI=1S/C12H24O3Si/c1-5-6-7-16(3,4)11-8-10(13)12(14)9(2)15-11/h8-10,12-14H,5-7H2,1-4H3/t9-,10-,12-/m0/s1
InChIKeyWJZGYFFBYNBGDY-NHCYSSNCSA-N
MW244.41 g/mol
LogP2.06
Rot. Bonds4

About (2S,3R,4S)-6-[butyl(dimethyl)silyl]-2-methyl-3,4-dihydro-2H-pyran-3,4-diol

(2S,3R,4S)-6-[butyl(dimethyl)silyl]-2-methyl-3,4-dihydro-2H-pyran-3,4-diol (PubChem CID 70355099) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is (2S,3R,4S)-6-[butyl(dimethyl)silyl]-2-methyl-3,4-dihydro-2H-pyran-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4S)-6-[butyl(dimethyl)silyl]-2-methyl-3,4-dihydro-2H-pyran-3,4-diol
PubChem CID70355099
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name(2S,3R,4S)-6-[butyl(dimethyl)silyl]-2-methyl-3,4-dihydro-2H-pyran-3,4-diol
SMILESCCCC[Si](C)(C)C1=C[C@H](O)[C@@H](O)[C@H](C)O1
InChIInChI=1S/C12H24O3Si/c1-5-6-7-16(3,4)11-8-10(13)12(14)9(2)15-11/h8-10,12-14H,5-7H2,1-4H3/t9-,10-,12-/m0/s1
InChIKeyWJZGYFFBYNBGDY-NHCYSSNCSA-N
XLogP2.06
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 52.06
H-Bond Donors ≤ 52
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,4S)-6-[butyl(dimethyl)silyl]-2-methyl-3,4-dihydro-2H-pyran-3,4-diol?
The IUPAC name of (2S,3R,4S)-6-[butyl(dimethyl)silyl]-2-methyl-3,4-dihydro-2H-pyran-3,4-diol (CID 70355099) is (2S,3R,4S)-6-[butyl(dimethyl)silyl]-2-methyl-3,4-dihydro-2H-pyran-3,4-diol.
What is the SMILES notation for (2S,3R,4S)-6-[butyl(dimethyl)silyl]-2-methyl-3,4-dihydro-2H-pyran-3,4-diol?
The canonical SMILES for (2S,3R,4S)-6-[butyl(dimethyl)silyl]-2-methyl-3,4-dihydro-2H-pyran-3,4-diol is CCCC[Si](C)(C)C1=C[C@H](O)[C@@H](O)[C@H](C)O1.
What is the InChIKey of (2S,3R,4S)-6-[butyl(dimethyl)silyl]-2-methyl-3,4-dihydro-2H-pyran-3,4-diol?
The InChIKey is WJZGYFFBYNBGDY-NHCYSSNCSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-5-6-7-16(3,4)11-8-10(13)12(14)9(2)15-11/h8-10,12-14H,5-7H2,1-4H3/t9-,10-,12-/m0/s1.
What are the key properties of (2S,3R,4S)-6-[butyl(dimethyl)silyl]-2-methyl-3,4-dihydro-2H-pyran-3,4-diol?
(2S,3R,4S)-6-[butyl(dimethyl)silyl]-2-methyl-3,4-dihydro-2H-pyran-3,4-diol has a molecular weight of 244.41 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S)-6-[butyl(dimethyl)silyl]-2-methyl-3,4-dihydro-2H-pyran-3,4-diol is sourced from PubChem (CID 70355099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).