methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-3,3-dimethyl-2-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]-3-methylidenepentanoate

C24H48O6Si2 — CID 10553034

IUPACmethyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-3,3-dimethyl-2-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]-3-methylidenepentanoate
SMILESC=C(CC(=O)OC)[C@H](C[C@]1(COCOCC[Si](C)(C)C)OC1(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H48O6Si2/c1-19(15-21(25)26-7)20(29-32(11,12)22(2,3)4)16-24(23(5,6)30-24)17-28-18-27-13-14-31(8,9)10/h20H,1,13-18H2,2-12H3/t20-,24+/m0/s1
InChIKeyKUIOLSYSDVOHQQ-GBXCKJPGSA-N
MW488.81 g/mol
LogP5.76
Rot. Bonds14

About methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-3,3-dimethyl-2-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]-3-methylidenepentanoate

methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-3,3-dimethyl-2-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]-3-methylidenepentanoate (PubChem CID 10553034) has the molecular formula C24H48O6Si2 and a molecular weight of 488.81 g/mol. Its IUPAC name is methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-3,3-dimethyl-2-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]-3-methylidenepentanoate.

Molecular Properties

Compound Namemethyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-3,3-dimethyl-2-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]-3-methylidenepentanoate
PubChem CID10553034
Molecular FormulaC24H48O6Si2
Molecular Weight488.81 g/mol
Exact Mass488.30
IUPAC Namemethyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-3,3-dimethyl-2-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]-3-methylidenepentanoate
SMILESC=C(CC(=O)OC)[C@H](C[C@]1(COCOCC[Si](C)(C)C)OC1(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C24H48O6Si2/c1-19(15-21(25)26-7)20(29-32(11,12)22(2,3)4)16-24(23(5,6)30-24)17-28-18-27-13-14-31(8,9)10/h20H,1,13-18H2,2-12H3/t20-,24+/m0/s1
InChIKeyKUIOLSYSDVOHQQ-GBXCKJPGSA-N
XLogP5.76
TPSA66.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.81
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

methyl (6S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-4-(2-ethoxy-2-trimethylsilyloxyethenylidene)-6-(2-methyloxiran-2-yl)non-8-enoate
CID 10006639
methyl 2-[(5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-yl-5-(2-trimethylsilylethoxymethoxymethyl)oxolan-2-yl]acetate
CID 10601090
ethyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-2-(hydroxymethyl)-3,3-dimethyloxiran-2-yl]-3-methylidenepentanoate
CID 10619309
ethyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-3,3-dimethyl-2-(trimethylsilyloxymethyl)oxiran-2-yl]-3-methylidenepentanoate
CID 11797570

Frequently Asked Questions

What is the IUPAC name of methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-3,3-dimethyl-2-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]-3-methylidenepentanoate?
The IUPAC name of methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-3,3-dimethyl-2-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]-3-methylidenepentanoate (CID 10553034) is methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-3,3-dimethyl-2-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]-3-methylidenepentanoate.
What is the SMILES notation for methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-3,3-dimethyl-2-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]-3-methylidenepentanoate?
The canonical SMILES for methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-3,3-dimethyl-2-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]-3-methylidenepentanoate is C=C(CC(=O)OC)[C@H](C[C@]1(COCOCC[Si](C)(C)C)OC1(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-3,3-dimethyl-2-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]-3-methylidenepentanoate?
The InChIKey is KUIOLSYSDVOHQQ-GBXCKJPGSA-N. The full InChI is InChI=1S/C24H48O6Si2/c1-19(15-21(25)26-7)20(29-32(11,12)22(2,3)4)16-24(23(5,6)30-24)17-28-18-27-13-14-31(8,9)10/h20H,1,13-18H2,2-12H3/t20-,24+/m0/s1.
What are the key properties of methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-3,3-dimethyl-2-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]-3-methylidenepentanoate?
methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-3,3-dimethyl-2-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]-3-methylidenepentanoate has a molecular weight of 488.81 g/mol, XLogP of 5.76, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S)-4-[tert-butyl(dimethyl)silyl]oxy-5-[(2R)-3,3-dimethyl-2-(2-trimethylsilylethoxymethoxymethyl)oxiran-2-yl]-3-methylidenepentanoate is sourced from PubChem (CID 10553034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).