tert-butyl (2S,3R)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-hydroxypentanoate

C18H38O4Si — CID 10472836

IUPACtert-butyl (2S,3R)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-hydroxypentanoate
SMILESCC[C@@H](O)[C@H](CCCO[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C18H38O4Si/c1-10-15(19)14(16(20)22-17(2,3)4)12-11-13-21-23(8,9)18(5,6)7/h14-15,19H,10-13H2,1-9H3/t14-,15+/m0/s1
InChIKeyXWWCFTSAGVIKOL-LSDHHAIUSA-N
MW346.58 g/mol
LogP4.52
Rot. Bonds8

About tert-butyl (2S,3R)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-hydroxypentanoate

tert-butyl (2S,3R)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-hydroxypentanoate (PubChem CID 10472836) has the molecular formula C18H38O4Si and a molecular weight of 346.58 g/mol. Its IUPAC name is tert-butyl (2S,3R)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-hydroxypentanoate.

Molecular Properties

Compound Nametert-butyl (2S,3R)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-hydroxypentanoate
PubChem CID10472836
Molecular FormulaC18H38O4Si
Molecular Weight346.58 g/mol
Exact Mass346.25
IUPAC Nametert-butyl (2S,3R)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-hydroxypentanoate
SMILESCC[C@@H](O)[C@H](CCCO[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C18H38O4Si/c1-10-15(19)14(16(20)22-17(2,3)4)12-11-13-21-23(8,9)18(5,6)7/h14-15,19H,10-13H2,1-9H3/t14-,15+/m0/s1
InChIKeyXWWCFTSAGVIKOL-LSDHHAIUSA-N
XLogP4.52
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.58
LogP ≤ 54.52
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

[(3R,4R,5S,6S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,4,6,8-tetramethylnonan-3-yl] acetate
CID 58876335
methyl (2S,3R,4S)-2-(3-((tert-butyldimethylsilyl)oxy)propyl)-2,3-dihydroxy-4-methylhexanoate
CID 10893444
ethyl (3S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-4,6-dimethylheptanoate
CID 11174970
ethyl (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
CID 11278132
(2S,3S,5R)-2-hexyl-3-hydroxy-5-((triisopropylsilyl)oxy)hexadecanoic acid
CID 11353049
(2S,3S,5S)-2-hexyl-3-hydroxy-5-tri(propan-2-yl)silyloxyhexadecanoic acid
CID 25140052
methyl (2R,3S,4S,5S)-7-hydroxy-5-(methoxymethoxy)-2,4-dimethyl-3-tri(propan-2-yl)silyloxyheptanoate
CID 42600666
(4R,5S,6S)-6-ethyl-4-(2-hydroxyethyl)-5-methyl-4-trimethylsilyloxyoxan-2-one
CID 51002639
Methyl (2rs,3rs,5s)-5-[t-butyl(dimethyl)-silyloxy]-2-hexyl-3-hydroxydecanoate
CID 129750031
Methyl (2rs,3rs,5s)-5-{[t-butyl(dimethyl)-silyl]oxy}-2-hexyl-3-hydroxyhexadecanoate
CID 129758874
(3R,4S,5S,6S)-6-[(2S,4R,5R,6R,7R)-4,6-dimethyl-3-oxo-7-triethylsilyloxy-5-trimethylsilyloxyoctan-2-yl]-4-hydroxy-3,5-dimethyloxan-2-one
CID 132553530
ethyl (2R,3S,4R)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
CID 134856614

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,3R)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-hydroxypentanoate?
The IUPAC name of tert-butyl (2S,3R)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-hydroxypentanoate (CID 10472836) is tert-butyl (2S,3R)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-hydroxypentanoate.
What is the SMILES notation for tert-butyl (2S,3R)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-hydroxypentanoate?
The canonical SMILES for tert-butyl (2S,3R)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-hydroxypentanoate is CC[C@@H](O)[C@H](CCCO[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S,3R)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-hydroxypentanoate?
The InChIKey is XWWCFTSAGVIKOL-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H38O4Si/c1-10-15(19)14(16(20)22-17(2,3)4)12-11-13-21-23(8,9)18(5,6)7/h14-15,19H,10-13H2,1-9H3/t14-,15+/m0/s1.
What are the key properties of tert-butyl (2S,3R)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-hydroxypentanoate?
tert-butyl (2S,3R)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-hydroxypentanoate has a molecular weight of 346.58 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3R)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-hydroxypentanoate is sourced from PubChem (CID 10472836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).