6-[(2R)-5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]-4-hydroxypyran-2-one

C16H28O4Si — CID 71497612

IUPAC6-[(2R)-5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]-4-hydroxypyran-2-one
SMILESC[C@H](CCCO[Si](C)(C)C(C)(C)C)c1cc(O)cc(=O)o1
InChIInChI=1S/C16H28O4Si/c1-12(14-10-13(17)11-15(18)20-14)8-7-9-19-21(5,6)16(2,3)4/h10-12,17H,7-9H2,1-6H3/t12-/m1/s1
InChIKeyIYZRQEGYYPHKEF-GFCCVEGCSA-N
MW312.48 g/mol
LogP4.25
Rot. Bonds6

About 6-[(2R)-5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]-4-hydroxypyran-2-one

6-[(2R)-5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]-4-hydroxypyran-2-one (PubChem CID 71497612) has the molecular formula C16H28O4Si and a molecular weight of 312.48 g/mol. Its IUPAC name is 6-[(2R)-5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]-4-hydroxypyran-2-one.

Molecular Properties

Compound Name6-[(2R)-5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]-4-hydroxypyran-2-one
PubChem CID71497612
Molecular FormulaC16H28O4Si
Molecular Weight312.48 g/mol
Exact Mass312.18
IUPAC Name6-[(2R)-5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]-4-hydroxypyran-2-one
SMILESC[C@H](CCCO[Si](C)(C)C(C)(C)C)c1cc(O)cc(=O)o1
InChIInChI=1S/C16H28O4Si/c1-12(14-10-13(17)11-15(18)20-14)8-7-9-19-21(5,6)16(2,3)4/h10-12,17H,7-9H2,1-6H3/t12-/m1/s1
InChIKeyIYZRQEGYYPHKEF-GFCCVEGCSA-N
XLogP4.25
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.48
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]-4-hydroxypyran-2-one?
The IUPAC name of 6-[(2R)-5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]-4-hydroxypyran-2-one (CID 71497612) is 6-[(2R)-5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]-4-hydroxypyran-2-one.
What is the SMILES notation for 6-[(2R)-5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]-4-hydroxypyran-2-one?
The canonical SMILES for 6-[(2R)-5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]-4-hydroxypyran-2-one is C[C@H](CCCO[Si](C)(C)C(C)(C)C)c1cc(O)cc(=O)o1.
What is the InChIKey of 6-[(2R)-5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]-4-hydroxypyran-2-one?
The InChIKey is IYZRQEGYYPHKEF-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H28O4Si/c1-12(14-10-13(17)11-15(18)20-14)8-7-9-19-21(5,6)16(2,3)4/h10-12,17H,7-9H2,1-6H3/t12-/m1/s1.
What are the key properties of 6-[(2R)-5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]-4-hydroxypyran-2-one?
6-[(2R)-5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]-4-hydroxypyran-2-one has a molecular weight of 312.48 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-5-[tert-butyl(dimethyl)silyl]oxypentan-2-yl]-4-hydroxypyran-2-one is sourced from PubChem (CID 71497612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).