methyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-phenylmethoxypentanoate

C20H34O4Si — CID 14658468

IUPACmethyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-phenylmethoxypentanoate
SMILESCOC(=O)[C@H](C)[C@H](CCOCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H34O4Si/c1-16(19(21)22-5)18(24-25(6,7)20(2,3)4)13-14-23-15-17-11-9-8-10-12-17/h8-12,16,18H,13-15H2,1-7H3/t16-,18+/m1/s1
InChIKeyUCQIASCQVTXJJJ-AEFFLSMTSA-N
MW366.57 g/mol
LogP4.79
Rot. Bonds9

About methyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-phenylmethoxypentanoate

methyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-phenylmethoxypentanoate (PubChem CID 14658468) has the molecular formula C20H34O4Si and a molecular weight of 366.57 g/mol. Its IUPAC name is methyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-phenylmethoxypentanoate.

Molecular Properties

Compound Namemethyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-phenylmethoxypentanoate
PubChem CID14658468
Molecular FormulaC20H34O4Si
Molecular Weight366.57 g/mol
Exact Mass366.22
IUPAC Namemethyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-phenylmethoxypentanoate
SMILESCOC(=O)[C@H](C)[C@H](CCOCc1ccccc1)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H34O4Si/c1-16(19(21)22-5)18(24-25(6,7)20(2,3)4)13-14-23-15-17-11-9-8-10-12-17/h8-12,16,18H,13-15H2,1-7H3/t16-,18+/m1/s1
InChIKeyUCQIASCQVTXJJJ-AEFFLSMTSA-N
XLogP4.79
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.57
LogP ≤ 54.79
H-Bond Donors ≤ 50
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

Benzyloctyl adipate
CID 94037
benzyl 2-[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxyoxan-2-yl]acetate
CID 12192987
(2S,3S,5R)-5-(benzyloxy)-2-hexyl-3-hydroxyhexadecanoic acid
CID 10479487
Pentanoic acid, 5-(phenylmethoxy)-, methyl ester
CID 561762
5-Benzyloxy-3-oxopentanoic acid methyl ester
CID 10988255
Ethyl 3-acetyloxy-3-phenylpropanoate
CID 11031860
Glutaric acid, 4-fluorobenzyl 2-methylhex-3-yl ester
CID 91704403
Glutaric acid, 2-fluorobenzyl 2-methylhex-3-yl ester
CID 91704436
Glutaric acid, 3-fluorobenzyl 2-methylhex-3-yl ester
CID 91704495
Glutaric acid, 1-(2-fluorophenyl)ethyl nonyl ester
CID 91707552
Glutaric acid, decyl 1-(2-fluorophenyl)ethyl ester
CID 91707553
Glutaric acid, 1-(2,6-difluorophenyl)ethyl undecyl ester
CID 91707968

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-phenylmethoxypentanoate?
The IUPAC name of methyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-phenylmethoxypentanoate (CID 14658468) is methyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-phenylmethoxypentanoate.
What is the SMILES notation for methyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-phenylmethoxypentanoate?
The canonical SMILES for methyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-phenylmethoxypentanoate is COC(=O)[C@H](C)[C@H](CCOCc1ccccc1)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-phenylmethoxypentanoate?
The InChIKey is UCQIASCQVTXJJJ-AEFFLSMTSA-N. The full InChI is InChI=1S/C20H34O4Si/c1-16(19(21)22-5)18(24-25(6,7)20(2,3)4)13-14-23-15-17-11-9-8-10-12-17/h8-12,16,18H,13-15H2,1-7H3/t16-,18+/m1/s1.
What are the key properties of methyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-phenylmethoxypentanoate?
methyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-phenylmethoxypentanoate has a molecular weight of 366.57 g/mol, XLogP of 4.79, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-phenylmethoxypentanoate is sourced from PubChem (CID 14658468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).