methyl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoate

C20H42O4Si2 — CID 10883940

IUPACmethyl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoate
SMILESC=CCC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C20H42O4Si2/c1-13-14-15-16(23-25(9,10)19(2,3)4)17(18(21)22-8)24-26(11,12)20(5,6)7/h13,16-17H,1,14-15H2,2-12H3/t16-,17-/m0/s1
InChIKeyABCATWBQATXOLJ-IRXDYDNUSA-N
MW402.72 g/mol
LogP5.91
Rot. Bonds9

About methyl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoate

methyl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoate (PubChem CID 10883940) has the molecular formula C20H42O4Si2 and a molecular weight of 402.72 g/mol. Its IUPAC name is methyl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoate.

Molecular Properties

Compound Namemethyl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoate
PubChem CID10883940
Molecular FormulaC20H42O4Si2
Molecular Weight402.72 g/mol
Exact Mass402.26
IUPAC Namemethyl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoate
SMILESC=CCC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)OC
InChIInChI=1S/C20H42O4Si2/c1-13-14-15-16(23-25(9,10)19(2,3)4)17(18(21)22-8)24-26(11,12)20(5,6)7/h13,16-17H,1,14-15H2,2-12H3/t16-,17-/m0/s1
InChIKeyABCATWBQATXOLJ-IRXDYDNUSA-N
XLogP5.91
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.72
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2-tri(propan-2-yl)silyloxyhept-6-enoate
CID 10859994
(2R,4Z,8S,9S)-8,9-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyl-2,3,6,7,8,9-hexahydrooxecin-10-one
CID 11004485
[(2S)-pent-4-en-2-yl] (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoate
CID 11453876
methyl (2S,3S)-3-methoxy-5-methyl-2-triethylsilyloxyhex-5-enoate
CID 44206673
Methyl 3-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate
CID 15599666
Methyl 2-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate
CID 141130143
methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxyhex-5-enoate;methyl (3R)-3-[tert-butyl(dimethyl)silyl]oxy-5-oxohexanoate
CID 157719955
Ethyl 2-[3-[tert-butyl(dimethyl)silyl]oxypropoxy]hex-5-enoate
CID 10735215
[(2R)-pent-4-en-2-yl] (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoate
CID 11048757
methyl (3R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-3-tri(propan-2-yl)silyloxyhept-6-enoate
CID 11113064
(3S,4R,5S)-5-but-3-enyl-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-one
CID 11143852
methyl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-enoate
CID 11199689

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoate?
The IUPAC name of methyl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoate (CID 10883940) is methyl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoate.
What is the SMILES notation for methyl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoate?
The canonical SMILES for methyl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoate is C=CCC[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O[Si](C)(C)C(C)(C)C)C(=O)OC.
What is the InChIKey of methyl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoate?
The InChIKey is ABCATWBQATXOLJ-IRXDYDNUSA-N. The full InChI is InChI=1S/C20H42O4Si2/c1-13-14-15-16(23-25(9,10)19(2,3)4)17(18(21)22-8)24-26(11,12)20(5,6)7/h13,16-17H,1,14-15H2,2-12H3/t16-,17-/m0/s1.
What are the key properties of methyl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoate?
methyl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoate has a molecular weight of 402.72 g/mol, XLogP of 5.91, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoate is sourced from PubChem (CID 10883940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).