4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butane-1,2-diol

C15H32O4Si — CID 10335215

IUPAC4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butane-1,2-diol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCCO[C@@H]1CCC(O)CO
InChIInChI=1S/C15H32O4Si/c1-15(2,3)20(4,5)19-14-7-6-10-18-13(14)9-8-12(17)11-16/h12-14,16-17H,6-11H2,1-5H3/t12?,13-,14+/m1/s1
InChIKeyNSILWQPTFRWBSU-IUZLNWEFSA-N
MW304.50 g/mol
LogP2.69
Rot. Bonds6

About 4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butane-1,2-diol

4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butane-1,2-diol (PubChem CID 10335215) has the molecular formula C15H32O4Si and a molecular weight of 304.50 g/mol. Its IUPAC name is 4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butane-1,2-diol.

Molecular Properties

Compound Name4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butane-1,2-diol
PubChem CID10335215
Molecular FormulaC15H32O4Si
Molecular Weight304.50 g/mol
Exact Mass304.21
IUPAC Name4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butane-1,2-diol
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CCCO[C@@H]1CCC(O)CO
InChIInChI=1S/C15H32O4Si/c1-15(2,3)20(4,5)19-14-7-6-10-18-13(14)9-8-12(17)11-16/h12-14,16-17H,6-11H2,1-5H3/t12?,13-,14+/m1/s1
InChIKeyNSILWQPTFRWBSU-IUZLNWEFSA-N
XLogP2.69
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butane-1,2-diol?
The IUPAC name of 4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butane-1,2-diol (CID 10335215) is 4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butane-1,2-diol.
What is the SMILES notation for 4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butane-1,2-diol?
The canonical SMILES for 4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butane-1,2-diol is CC(C)(C)[Si](C)(C)O[C@H]1CCCO[C@@H]1CCC(O)CO.
What is the InChIKey of 4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butane-1,2-diol?
The InChIKey is NSILWQPTFRWBSU-IUZLNWEFSA-N. The full InChI is InChI=1S/C15H32O4Si/c1-15(2,3)20(4,5)19-14-7-6-10-18-13(14)9-8-12(17)11-16/h12-14,16-17H,6-11H2,1-5H3/t12?,13-,14+/m1/s1.
What are the key properties of 4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butane-1,2-diol?
4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butane-1,2-diol has a molecular weight of 304.50 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]butane-1,2-diol is sourced from PubChem (CID 10335215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).