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

C16H32O5Si — CID 15658843

IUPAC(Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxyethoxymethoxy)hex-2-enal
SMILESCOCCOCOCC[C@@H](/C=C\C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O5Si/c1-16(2,3)22(5,6)21-15(8-7-10-17)9-11-19-14-20-13-12-18-4/h7-8,10,15H,9,11-14H2,1-6H3/b8-7-/t15-/m1/s1
InChIKeyGBZWXGNLLBIFOV-ZPIQOJFGSA-N
MW332.51 g/mol
LogP3.16
Rot. Bonds12

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

(Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxyethoxymethoxy)hex-2-enal (PubChem CID 15658843) has the molecular formula C16H32O5Si and a molecular weight of 332.51 g/mol. Its IUPAC name is (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxyethoxymethoxy)hex-2-enal.

Molecular Properties

Compound Name(Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxyethoxymethoxy)hex-2-enal
PubChem CID15658843
Molecular FormulaC16H32O5Si
Molecular Weight332.51 g/mol
Exact Mass332.20
IUPAC Name(Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxyethoxymethoxy)hex-2-enal
SMILESCOCCOCOCC[C@@H](/C=C\C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H32O5Si/c1-16(2,3)22(5,6)21-15(8-7-10-17)9-11-19-14-20-13-12-18-4/h7-8,10,15H,9,11-14H2,1-6H3/b8-7-/t15-/m1/s1
InChIKeyGBZWXGNLLBIFOV-ZPIQOJFGSA-N
XLogP3.16
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxyethoxymethoxy)hex-2-enal?
The IUPAC name of (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxyethoxymethoxy)hex-2-enal (CID 15658843) is (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxyethoxymethoxy)hex-2-enal.
What is the SMILES notation for (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxyethoxymethoxy)hex-2-enal?
The canonical SMILES for (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxyethoxymethoxy)hex-2-enal is COCCOCOCC[C@@H](/C=C\C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxyethoxymethoxy)hex-2-enal?
The InChIKey is GBZWXGNLLBIFOV-ZPIQOJFGSA-N. The full InChI is InChI=1S/C16H32O5Si/c1-16(2,3)22(5,6)21-15(8-7-10-17)9-11-19-14-20-13-12-18-4/h7-8,10,15H,9,11-14H2,1-6H3/b8-7-/t15-/m1/s1.
What are the key properties of (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxyethoxymethoxy)hex-2-enal?
(Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxyethoxymethoxy)hex-2-enal has a molecular weight of 332.51 g/mol, XLogP of 3.16, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxyethoxymethoxy)hex-2-enal is sourced from PubChem (CID 15658843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).