methyl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-enoate

C18H38O4Si2 — CID 11199689

IUPACmethyl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-enoate
SMILESC=C[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/C18H38O4Si2/c1-13-14(21-23(9,10)17(2,3)4)15(16(19)20-8)22-24(11,12)18(5,6)7/h13-15H,1H2,2-12H3/t14-,15-/m0/s1
InChIKeyZKLIUWJNUOAZON-GJZGRUSLSA-N
MW374.67 g/mol
LogP5.13
Rot. Bonds7

About methyl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-enoate

methyl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-enoate (PubChem CID 11199689) has the molecular formula C18H38O4Si2 and a molecular weight of 374.67 g/mol. Its IUPAC name is methyl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-enoate.

Molecular Properties

Compound Namemethyl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-enoate
PubChem CID11199689
Molecular FormulaC18H38O4Si2
Molecular Weight374.67 g/mol
Exact Mass374.23
IUPAC Namemethyl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-enoate
SMILESC=C[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/C18H38O4Si2/c1-13-14(21-23(9,10)17(2,3)4)15(16(19)20-8)22-24(11,12)18(5,6)7/h13-15H,1H2,2-12H3/t14-,15-/m0/s1
InChIKeyZKLIUWJNUOAZON-GJZGRUSLSA-N
XLogP5.13
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.67
LogP ≤ 55.13
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 (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoate
CID 10883940
[(2S)-pent-4-en-2-yl] (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoate
CID 11453876
[(2R)-pent-4-en-2-yl] (3R)-3-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 123723735
[(2R)-pent-4-en-2-yl] (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]hept-6-enoate
CID 11048757
methyl (E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-tributylstannylpent-4-enoate
CID 11353111
methyl (2S)-2-[tert-butyl(dimethyl)silyl]oxypent-4-enoate
CID 11806891
prop-2-enyl (2S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]propanoate
CID 12179271
trimethylsilyl (E)-4-trimethylsilyl-2,3-bis(trimethylsilyloxy)but-3-enoate
CID 14715611
ethyl (2S)-2-[hexa-1,5-dien-3-yloxy-di(propan-2-yl)silyl]oxypropanoate
CID 45100851
2-trimethylsilylethyl (E,3S)-3,7-bis[[tert-butyl(dimethyl)silyl]oxy]hept-4-enoate
CID 45275913
2-trimethylsilylethyl (2S,3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-3,4-dihydro-2H-pyran-2-carboxylate
CID 71583229
methyl (2R)-2-[(1R)-1-[tert-butyl(dimethyl)silyl]oxyprop-2-enyl]oxirane-2-carboxylate
CID 101476820

Frequently Asked Questions

What is the IUPAC name of methyl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-enoate?
The IUPAC name of methyl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-enoate (CID 11199689) is methyl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-enoate.
What is the SMILES notation for methyl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-enoate?
The canonical SMILES for methyl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-enoate is C=C[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]pent-4-enoate?
The InChIKey is ZKLIUWJNUOAZON-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H38O4Si2/c1-13-14(21-23(9,10)17(2,3)4)15(16(19)20-8)22-24(11,12)18(5,6)7/h13-15H,1H2,2-12H3/t14-,15-/m0/s1.
What are the key properties of methyl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-enoate?
methyl (2S,3S)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]pent-4-enoate has a molecular weight of 374.67 g/mol, XLogP of 5.13, 7 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]pent-4-enoate is sourced from PubChem (CID 11199689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).