methyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxyethoxymethoxy)hex-2-enoate

C17H34O6Si — CID 15658840

IUPACmethyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxyethoxymethoxy)hex-2-enoate
SMILESCOCCOCOCC[C@@H](/C=C\C(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O6Si/c1-17(2,3)24(6,7)23-15(8-9-16(18)20-5)10-11-21-14-22-13-12-19-4/h8-9,15H,10-14H2,1-7H3/b9-8-/t15-/m1/s1
InChIKeyJQRXAZQFIDDICF-WHLNPGIBSA-N
MW362.54 g/mol
LogP3.13
Rot. Bonds12

About methyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxyethoxymethoxy)hex-2-enoate

methyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxyethoxymethoxy)hex-2-enoate (PubChem CID 15658840) has the molecular formula C17H34O6Si and a molecular weight of 362.54 g/mol. Its IUPAC name is methyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxyethoxymethoxy)hex-2-enoate.

Molecular Properties

Compound Namemethyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxyethoxymethoxy)hex-2-enoate
PubChem CID15658840
Molecular FormulaC17H34O6Si
Molecular Weight362.54 g/mol
Exact Mass362.21
IUPAC Namemethyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxyethoxymethoxy)hex-2-enoate
SMILESCOCCOCOCC[C@@H](/C=C\C(=O)OC)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H34O6Si/c1-17(2,3)24(6,7)23-15(8-9-16(18)20-5)10-11-21-14-22-13-12-19-4/h8-9,15H,10-14H2,1-7H3/b9-8-/t15-/m1/s1
InChIKeyJQRXAZQFIDDICF-WHLNPGIBSA-N
XLogP3.13
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.54
LogP ≤ 53.13
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxyethoxymethoxy)hex-2-enoate?
The IUPAC name of methyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxyethoxymethoxy)hex-2-enoate (CID 15658840) is methyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxyethoxymethoxy)hex-2-enoate.
What is the SMILES notation for methyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxyethoxymethoxy)hex-2-enoate?
The canonical SMILES for methyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxyethoxymethoxy)hex-2-enoate is COCCOCOCC[C@@H](/C=C\C(=O)OC)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxyethoxymethoxy)hex-2-enoate?
The InChIKey is JQRXAZQFIDDICF-WHLNPGIBSA-N. The full InChI is InChI=1S/C17H34O6Si/c1-17(2,3)24(6,7)23-15(8-9-16(18)20-5)10-11-21-14-22-13-12-19-4/h8-9,15H,10-14H2,1-7H3/b9-8-/t15-/m1/s1.
What are the key properties of methyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxyethoxymethoxy)hex-2-enoate?
methyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxyethoxymethoxy)hex-2-enoate has a molecular weight of 362.54 g/mol, XLogP of 3.13, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxyethoxymethoxy)hex-2-enoate is sourced from PubChem (CID 15658840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).