(6S)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-hydroxy-2H-pyran-5-one

C14H26O4Si — CID 11652159

IUPAC(6S)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-hydroxy-2H-pyran-5-one
SMILESCC(C)(C)[Si](C)(C)OCCC[C@@H]1OC(O)C=CC1=O
InChIInChI=1S/C14H26O4Si/c1-14(2,3)19(4,5)17-10-6-7-12-11(15)8-9-13(16)18-12/h8-9,12-13,16H,6-7,10H2,1-5H3/t12-,13?/m0/s1
InChIKeyFQESDWVAZGHBBJ-UEWDXFNNSA-N
MW286.44 g/mol
LogP2.63
Rot. Bonds5

About (6S)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-hydroxy-2H-pyran-5-one

(6S)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-hydroxy-2H-pyran-5-one (PubChem CID 11652159) has the molecular formula C14H26O4Si and a molecular weight of 286.44 g/mol. Its IUPAC name is (6S)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-hydroxy-2H-pyran-5-one.

Molecular Properties

Compound Name(6S)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-hydroxy-2H-pyran-5-one
PubChem CID11652159
Molecular FormulaC14H26O4Si
Molecular Weight286.44 g/mol
Exact Mass286.16
IUPAC Name(6S)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-hydroxy-2H-pyran-5-one
SMILESCC(C)(C)[Si](C)(C)OCCC[C@@H]1OC(O)C=CC1=O
InChIInChI=1S/C14H26O4Si/c1-14(2,3)19(4,5)17-10-6-7-12-11(15)8-9-13(16)18-12/h8-9,12-13,16H,6-7,10H2,1-5H3/t12-,13?/m0/s1
InChIKeyFQESDWVAZGHBBJ-UEWDXFNNSA-N
XLogP2.63
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 52.63
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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Related Compounds

(6S)-6-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-hydroxy-2H-pyran-5-one
CID 101482337
(6R)-6-butyl-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-hydroxy-2H-pyran-5-one
CID 134844067
tert-butyl [(2R,6R)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxo-2H-pyran-2-yl] carbonate
CID 24778249
[6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxo-2H-pyran-2-yl] acetate
CID 101131965
tert-butyl [(2S,6R)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-oxo-2H-pyran-2-yl] carbonate
CID 101454596
6-(3-ethenoxypropyl)-2-hydroxy-2H-pyran-5-one
CID 101500562

Frequently Asked Questions

What is the IUPAC name of (6S)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-hydroxy-2H-pyran-5-one?
The IUPAC name of (6S)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-hydroxy-2H-pyran-5-one (CID 11652159) is (6S)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-hydroxy-2H-pyran-5-one.
What is the SMILES notation for (6S)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-hydroxy-2H-pyran-5-one?
The canonical SMILES for (6S)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-hydroxy-2H-pyran-5-one is CC(C)(C)[Si](C)(C)OCCC[C@@H]1OC(O)C=CC1=O.
What is the InChIKey of (6S)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-hydroxy-2H-pyran-5-one?
The InChIKey is FQESDWVAZGHBBJ-UEWDXFNNSA-N. The full InChI is InChI=1S/C14H26O4Si/c1-14(2,3)19(4,5)17-10-6-7-12-11(15)8-9-13(16)18-12/h8-9,12-13,16H,6-7,10H2,1-5H3/t12-,13?/m0/s1.
What are the key properties of (6S)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-hydroxy-2H-pyran-5-one?
(6S)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-hydroxy-2H-pyran-5-one has a molecular weight of 286.44 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-hydroxy-2H-pyran-5-one is sourced from PubChem (CID 11652159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).