methyl (E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-2-enoate

C18H38O4Si2 — CID 102382081

IUPACmethyl (E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-2-enoate
SMILESCOC(=O)/C=C/[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O4Si2/c1-17(2,3)23(8,9)21-14-15(12-13-16(19)20-7)22-24(10,11)18(4,5)6/h12-13,15H,14H2,1-11H3/b13-12+/t15-/m0/s1
InChIKeyDNNBBYACEJDMCN-LHNRBYRGSA-N
MW374.67 g/mol
LogP5.13
Rot. Bonds7

About methyl (E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-2-enoate

methyl (E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-2-enoate (PubChem CID 102382081) has the molecular formula C18H38O4Si2 and a molecular weight of 374.67 g/mol. Its IUPAC name is methyl (E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-2-enoate.

Molecular Properties

Compound Namemethyl (E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-2-enoate
PubChem CID102382081
Molecular FormulaC18H38O4Si2
Molecular Weight374.67 g/mol
Exact Mass374.23
IUPAC Namemethyl (E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-2-enoate
SMILESCOC(=O)/C=C/[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H38O4Si2/c1-17(2,3)23(8,9)21-14-15(12-13-16(19)20-7)22-24(10,11)18(4,5)6/h12-13,15H,14H2,1-11H3/b13-12+/t15-/m0/s1
InChIKeyDNNBBYACEJDMCN-LHNRBYRGSA-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (E,4S,11R)-4-[tert-butyl(dimethyl)silyl]oxy-11-hydroxydodec-2-enoate
CID 102461121
methyl (2E,4R,6S,7E,9E)-4,11-bis[[tert-butyl(dimethyl)silyl]oxy]-9-methyl-6-triethylsilyloxyundeca-2,7,9-trienoate
CID 101392092
methyl (2E,4S,5R,6E)-5,8-bis[[tert-butyl(dimethyl)silyl]oxy]-4-methylocta-2,6-dienoate
CID 102043881
methyl (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-2-enoate
CID 14379848
(2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanal;methyl (E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enoate;methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoate
CID 159525447
[(2R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl] methyl carbonate
CID 102073389
methyl (2Z,4E,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxyundeca-2,4,8-trien-10-ynoate
CID 24800988
ethyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxyoct-2-enoate
CID 56641063
ethyl (E,4R)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enoate
CID 24755951
methyl (2Z,4E,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-11-trimethylsilylundeca-2,4,8-trien-10-ynoate
CID 11983945
(E,5R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-3-fluorohex-3-ene-1,2-diol
CID 11315413
methyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-oxobutanoate
CID 15202310

Frequently Asked Questions

What is the IUPAC name of methyl (E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-2-enoate?
The IUPAC name of methyl (E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-2-enoate (CID 102382081) is methyl (E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-2-enoate.
What is the SMILES notation for methyl (E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-2-enoate?
The canonical SMILES for methyl (E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-2-enoate is COC(=O)/C=C/[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-2-enoate?
The InChIKey is DNNBBYACEJDMCN-LHNRBYRGSA-N. The full InChI is InChI=1S/C18H38O4Si2/c1-17(2,3)23(8,9)21-14-15(12-13-16(19)20-7)22-24(10,11)18(4,5)6/h12-13,15H,14H2,1-11H3/b13-12+/t15-/m0/s1.
What are the key properties of methyl (E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-2-enoate?
methyl (E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-2-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 (E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-2-enoate is sourced from PubChem (CID 102382081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).