methyl (4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentanoate

C22H30O4Si — CID 11025490

IUPACmethyl (4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentanoate
SMILESCOC(=O)CC[C@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H30O4Si/c1-22(2,3)27(19-11-7-5-8-12-19,20-13-9-6-10-14-20)26-17-18(23)15-16-21(24)25-4/h5-14,18,23H,15-17H2,1-4H3/t18-/m0/s1
InChIKeyYXRARTUGIJIMKC-SFHVURJKSA-N
MW386.56 g/mol
LogP2.88
Rot. Bonds8

About methyl (4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentanoate

methyl (4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentanoate (PubChem CID 11025490) has the molecular formula C22H30O4Si and a molecular weight of 386.56 g/mol. Its IUPAC name is methyl (4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentanoate.

Molecular Properties

Compound Namemethyl (4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentanoate
PubChem CID11025490
Molecular FormulaC22H30O4Si
Molecular Weight386.56 g/mol
Exact Mass386.19
IUPAC Namemethyl (4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentanoate
SMILESCOC(=O)CC[C@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C22H30O4Si/c1-22(2,3)27(19-11-7-5-8-12-19,20-13-9-6-10-14-20)26-17-18(23)15-16-21(24)25-4/h5-14,18,23H,15-17H2,1-4H3/t18-/m0/s1
InChIKeyYXRARTUGIJIMKC-SFHVURJKSA-N
XLogP2.88
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.56
LogP ≤ 52.88
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

methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate
CID 11749095
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
methyl 12-[(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropoxy]dodecanoate
CID 10256822
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-5-methylhex-5-en-2-ol
CID 16736189
methyl (4R,6S)-4-[[tert-butyl(diphenyl)silyl]oxymethyl]-6-hydroxy-6-(hydroxymethyl)octanoate
CID 58905605
methyl (E,6R)-7-[tert-butyl(diphenyl)silyl]oxy-6-hydroxyhept-2-enoate
CID 10835513
(5S)-6-[tert-butyl(diphenyl)silyl]oxy-2-methylidenehexane-1,5-diol
CID 101435848
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590
methyl (3S,4S,5S)-6-[tert-butyl(diphenyl)silyl]oxy-3,4-dihydroxy-5-iodohexanoate
CID 10816311
(2S)-3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxypropanal
CID 11348036
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-sulfanylpropan-2-ol
CID 15451317
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-chloropropan-2-ol
CID 124630717

Frequently Asked Questions

What is the IUPAC name of methyl (4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentanoate?
The IUPAC name of methyl (4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentanoate (CID 11025490) is methyl (4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentanoate.
What is the SMILES notation for methyl (4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentanoate?
The canonical SMILES for methyl (4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentanoate is COC(=O)CC[C@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of methyl (4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentanoate?
The InChIKey is YXRARTUGIJIMKC-SFHVURJKSA-N. The full InChI is InChI=1S/C22H30O4Si/c1-22(2,3)27(19-11-7-5-8-12-19,20-13-9-6-10-14-20)26-17-18(23)15-16-21(24)25-4/h5-14,18,23H,15-17H2,1-4H3/t18-/m0/s1.
What are the key properties of methyl (4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentanoate?
methyl (4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentanoate has a molecular weight of 386.56 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-hydroxypentanoate is sourced from PubChem (CID 11025490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).