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

C16H32O5Si — CID 15658844

IUPAC(E,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-MVGZEHJDSA-N
MW332.51 g/mol
LogP3.16
Rot. Bonds12

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

(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxyethoxymethoxy)hex-2-enal (PubChem CID 15658844) has the molecular formula C16H32O5Si and a molecular weight of 332.51 g/mol. Its IUPAC name is (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxyethoxymethoxy)hex-2-enal.

Molecular Properties

Compound Name(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxyethoxymethoxy)hex-2-enal
PubChem CID15658844
Molecular FormulaC16H32O5Si
Molecular Weight332.51 g/mol
Exact Mass332.20
IUPAC Name(E,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-MVGZEHJDSA-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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Related Compounds

(E)-3-[(4S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enal
CID 10335003
(E,4R)-4-(methoxymethoxy)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-enal
CID 11484331
ethyl (E,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-(methoxymethoxy)hept-2-enoate
CID 134842529
(E,4S)-4-(methoxymethoxy)-4-methyl-5-tri(propan-2-yl)silyloxypent-2-enal
CID 134939181
(2Z,4E,6S)-6-[tert-butyl(dimethyl)silyl]oxy-7-(1,3-dioxolan-2-yl)hepta-2,4-dienal
CID 134942562
(E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enal
CID 10983376
(Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-4-[(4R,5R)-5-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]but-2-enal
CID 11328624
(E,4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)oct-2-enal
CID 49871722
(4R,7R)-7-[tert-butyl(dimethyl)silyl]oxy-4-(methoxymethoxy)oct-2-enal
CID 173532016
ethyl (E,5S)-6-[tert-butyl(dimethyl)silyl]oxy-5-(2-trimethylsilylethoxymethoxy)hex-2-enoate
CID 10645731
(E)-3-[(4R,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enal
CID 11077455
methyl (Z,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxyethoxymethoxy)hex-2-enoate
CID 15658840

Frequently Asked Questions

What is the IUPAC name of (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxyethoxymethoxy)hex-2-enal?
The IUPAC name of (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxyethoxymethoxy)hex-2-enal (CID 15658844) is (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxyethoxymethoxy)hex-2-enal.
What is the SMILES notation for (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxyethoxymethoxy)hex-2-enal?
The canonical SMILES for (E,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 (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxyethoxymethoxy)hex-2-enal?
The InChIKey is GBZWXGNLLBIFOV-MVGZEHJDSA-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 (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxyethoxymethoxy)hex-2-enal?
(E,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 (E,4S)-4-[tert-butyl(dimethyl)silyl]oxy-6-(2-methoxyethoxymethoxy)hex-2-enal is sourced from PubChem (CID 15658844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).