(2S)-2-[(2S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-2-yl]propanoic acid

C16H32O4Si — CID 11688270

IUPAC(2S)-2-[(2S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-2-yl]propanoic acid
SMILESC[C@H](C[C@H]1CC[C@@H]([C@H](C)C(=O)O)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O4Si/c1-11(20-21(6,7)16(3,4)5)10-13-8-9-14(19-13)12(2)15(17)18/h11-14H,8-10H2,1-7H3,(H,17,18)/t11-,12+,13-,14+/m1/s1
InChIKeyPIFFQQGCUJWXOC-RQJABVFESA-N
MW316.51 g/mol
LogP4.06
Rot. Bonds6

About (2S)-2-[(2S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-2-yl]propanoic acid

(2S)-2-[(2S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-2-yl]propanoic acid (PubChem CID 11688270) has the molecular formula C16H32O4Si and a molecular weight of 316.51 g/mol. Its IUPAC name is (2S)-2-[(2S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-2-yl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-2-yl]propanoic acid
PubChem CID11688270
Molecular FormulaC16H32O4Si
Molecular Weight316.51 g/mol
Exact Mass316.21
IUPAC Name(2S)-2-[(2S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-2-yl]propanoic acid
SMILESC[C@H](C[C@H]1CC[C@@H]([C@H](C)C(=O)O)O1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O4Si/c1-11(20-21(6,7)16(3,4)5)10-13-8-9-14(19-13)12(2)15(17)18/h11-14H,8-10H2,1-7H3,(H,17,18)/t11-,12+,13-,14+/m1/s1
InChIKeyPIFFQQGCUJWXOC-RQJABVFESA-N
XLogP4.06
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.51
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Bonactin
CID 11741721
(2R)-2-((2R,5S)-5-((2S)-2-Hydroxybutyl)oxolan-2-YL)propanoic acid
CID 11053074
Feigrisolide C
CID 10668706
Feigrisolide D
CID 10693132
Nonactic acid
CID 12313435
(2S)-2-[(2S,5R)-5-[(2R)-2-hydroxypropyl]oxolan-2-yl]propanoic acid
CID 11805769
2-[5-[2-[2-[5-(2-Hydroxypropyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid
CID 23815283
Homononactinic acid
CID 12310478
(-)-Nonactic acid
CID 11095678
(2R)-2-[(2R,5S)-5-[(2S)-2-[(2S)-2-[(2R,5S)-5-[(2S)-2-hydroxypropyl]oxolan-2-yl]propanoyl]oxybutyl]oxolan-2-yl]propanoic acid
CID 11384025
(2R)-2-[(2R,5S)-5-[(2S)-2-[(2S)-2-[(2S,5R)-5-[(2R)-2-hydroxybutyl]oxolan-2-yl]propanoyl]oxypropyl]oxolan-2-yl]propanoic acid
CID 11502215
Methyl 2-[5-(2-hydroxybutyl)tetrahydro-2-furanyl]propanoate
CID 14167519

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-2-yl]propanoic acid?
The IUPAC name of (2S)-2-[(2S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-2-yl]propanoic acid (CID 11688270) is (2S)-2-[(2S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-2-yl]propanoic acid.
What is the SMILES notation for (2S)-2-[(2S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-2-yl]propanoic acid?
The canonical SMILES for (2S)-2-[(2S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-2-yl]propanoic acid is C[C@H](C[C@H]1CC[C@@H]([C@H](C)C(=O)O)O1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S)-2-[(2S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-2-yl]propanoic acid?
The InChIKey is PIFFQQGCUJWXOC-RQJABVFESA-N. The full InChI is InChI=1S/C16H32O4Si/c1-11(20-21(6,7)16(3,4)5)10-13-8-9-14(19-13)12(2)15(17)18/h11-14H,8-10H2,1-7H3,(H,17,18)/t11-,12+,13-,14+/m1/s1.
What are the key properties of (2S)-2-[(2S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-2-yl]propanoic acid?
(2S)-2-[(2S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-2-yl]propanoic acid has a molecular weight of 316.51 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2S,5R)-5-[(2R)-2-[tert-butyl(dimethyl)silyl]oxypropyl]oxolan-2-yl]propanoic acid is sourced from PubChem (CID 11688270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).