methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-(phenylmethoxymethoxy)butanoate

C19H32O5Si — CID 131734747

IUPACmethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-(phenylmethoxymethoxy)butanoate
SMILESCOC(=O)[C@H](CCOCOCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H32O5Si/c1-19(2,3)25(5,6)24-17(18(20)21-4)12-13-22-15-23-14-16-10-8-7-9-11-16/h7-11,17H,12-15H2,1-6H3/t17-/m0/s1
InChIKeyZNVOJTQPVYUDNR-KRWDZBQOSA-N
MW368.55 g/mol
LogP4.13
Rot. Bonds10

About methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-(phenylmethoxymethoxy)butanoate

methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-(phenylmethoxymethoxy)butanoate (PubChem CID 131734747) has the molecular formula C19H32O5Si and a molecular weight of 368.55 g/mol. Its IUPAC name is methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-(phenylmethoxymethoxy)butanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-(phenylmethoxymethoxy)butanoate
PubChem CID131734747
Molecular FormulaC19H32O5Si
Molecular Weight368.55 g/mol
Exact Mass368.20
IUPAC Namemethyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-(phenylmethoxymethoxy)butanoate
SMILESCOC(=O)[C@H](CCOCOCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H32O5Si/c1-19(2,3)25(5,6)24-17(18(20)21-4)12-13-22-15-23-14-16-10-8-7-9-11-16/h7-11,17H,12-15H2,1-6H3/t17-/m0/s1
InChIKeyZNVOJTQPVYUDNR-KRWDZBQOSA-N
XLogP4.13
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.55
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl (2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-4-phenylmethoxybutanoate
CID 164887761
ethyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxypentanoate
CID 11222352
methyl (2S,3R,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroxy-4-methyl-6-phenylmethoxyhexanoate
CID 15449425
methyl 2-[tert-butyl(dimethyl)silyl]oxy-3-phenylsulfanylpropanoate
CID 11674267
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-dimethoxyphosphoryl-6-phenylmethoxyhexan-2-one
CID 71514831
tert-butyl-dimethyl-(5-phenylmethoxypent-1-en-3-yloxy)silane
CID 174283029
1-O-benzyl 4-O-tert-butyl (2S)-2-[tert-butyl(dimethyl)silyl]oxybutanedioate
CID 10786824
4-[tert-butyl(dimethyl)silyl]oxy-1-hydroxy-5-phenylmethoxypentan-2-one
CID 85424805
methyl 2-chloro-4-phenylmethoxybutanoate
CID 121009270
methyl (2S,3R)-2-[tert-butyl(dimethyl)silyl]oxy-4-phenyl-3-(phenylmethoxycarbonylamino)butanoate
CID 11271071
benzyl (3S)-4-bromo-3-[tert-butyl(dimethyl)silyl]oxybutanoate
CID 141383140
tert-butyl-[2,6-dimethyl-7-(phenylmethoxymethoxy)heptan-2-yl]oxy-dimethylsilane
CID 68648592

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-(phenylmethoxymethoxy)butanoate?
The IUPAC name of methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-(phenylmethoxymethoxy)butanoate (CID 131734747) is methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-(phenylmethoxymethoxy)butanoate.
What is the SMILES notation for methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-(phenylmethoxymethoxy)butanoate?
The canonical SMILES for methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-(phenylmethoxymethoxy)butanoate is COC(=O)[C@H](CCOCOCc1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-(phenylmethoxymethoxy)butanoate?
The InChIKey is ZNVOJTQPVYUDNR-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H32O5Si/c1-19(2,3)25(5,6)24-17(18(20)21-4)12-13-22-15-23-14-16-10-8-7-9-11-16/h7-11,17H,12-15H2,1-6H3/t17-/m0/s1.
What are the key properties of methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-(phenylmethoxymethoxy)butanoate?
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-(phenylmethoxymethoxy)butanoate has a molecular weight of 368.55 g/mol, XLogP of 4.13, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxy-4-(phenylmethoxymethoxy)butanoate is sourced from PubChem (CID 131734747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).