ethyl (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate

C15H32O4Si — CID 11278132

IUPACethyl (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
SMILESCCOC(=O)[C@H](C)[C@@H](O)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O4Si/c1-9-18-14(17)12(3)13(16)11(2)10-19-20(7,8)15(4,5)6/h11-13,16H,9-10H2,1-8H3/t11-,12+,13-/m0/s1
InChIKeyPVHWQDVCZFCVEU-XQQFMLRXSA-N
MW304.50 g/mol
LogP3.20
Rot. Bonds7

About ethyl (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate

ethyl (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate (PubChem CID 11278132) has the molecular formula C15H32O4Si and a molecular weight of 304.50 g/mol. Its IUPAC name is ethyl (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate.

Molecular Properties

Compound Nameethyl (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
PubChem CID11278132
Molecular FormulaC15H32O4Si
Molecular Weight304.50 g/mol
Exact Mass304.21
IUPAC Nameethyl (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
SMILESCCOC(=O)[C@H](C)[C@@H](O)[C@@H](C)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H32O4Si/c1-9-18-14(17)12(3)13(16)11(2)10-19-20(7,8)15(4,5)6/h11-13,16H,9-10H2,1-8H3/t11-,12+,13-/m0/s1
InChIKeyPVHWQDVCZFCVEU-XQQFMLRXSA-N
XLogP3.20
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2R,3R,4R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate
CID 101265935
ethyl (4R,7S,8S)-7,9-bis[[tert-butyl(dimethyl)silyl]oxy]-3-hydroxy-4,8-dimethylnonanoate
CID 102469145
ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxypentanoate;ethyl 4,5-dihydroxypentanoate
CID 158562183
(5S,6S)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-2,6-dimethylheptan-3-one
CID 101412599
sodium (2R,3R)-2-amino-4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoate
CID 23697835
ethyl (E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enoate
CID 24755951
1-[tert-butyl(dimethyl)silyl]oxypropan-2-ol
CID 13175134
ethyl 3-hydroxy-2,4-dimethylpentanoate
CID 13235184
ethyl (2R,3S)-3-hydroxy-2,4-dimethylpentanoate
CID 10965025
ethyl (2R,3S)-3-hydroxy-2-methylbutanoate
CID 642623
ethyl (E,4R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-6-hydroxy-4-methylhept-2-enoate
CID 102482234
[(2R)-3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxypropyl] tetradecanoate
CID 11015240

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate?
The IUPAC name of ethyl (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate (CID 11278132) is ethyl (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate.
What is the SMILES notation for ethyl (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate?
The canonical SMILES for ethyl (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate is CCOC(=O)[C@H](C)[C@@H](O)[C@@H](C)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of ethyl (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate?
The InChIKey is PVHWQDVCZFCVEU-XQQFMLRXSA-N. The full InChI is InChI=1S/C15H32O4Si/c1-9-18-14(17)12(3)13(16)11(2)10-19-20(7,8)15(4,5)6/h11-13,16H,9-10H2,1-8H3/t11-,12+,13-/m0/s1.
What are the key properties of ethyl (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate?
ethyl (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate has a molecular weight of 304.50 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3S,4S)-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2,4-dimethylpentanoate is sourced from PubChem (CID 11278132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).