(E,3S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3-phenylmethoxyhex-4-enal

C20H32O3Si — CID 10904195

IUPAC(E,3S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3-phenylmethoxyhex-4-enal
SMILESC/C(=C\CO[Si](C)(C)C(C)(C)C)[C@H](CC=O)OCc1ccccc1
InChIInChI=1S/C20H32O3Si/c1-17(13-15-23-24(5,6)20(2,3)4)19(12-14-21)22-16-18-10-8-7-9-11-18/h7-11,13-14,19H,12,15-16H2,1-6H3/b17-13+/t19-/m0/s1
InChIKeyBEHBJKHACIHISB-UMEYKSNOSA-N
MW348.56 g/mol
LogP5.13
Rot. Bonds9

About (E,3S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3-phenylmethoxyhex-4-enal

(E,3S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3-phenylmethoxyhex-4-enal (PubChem CID 10904195) has the molecular formula C20H32O3Si and a molecular weight of 348.56 g/mol. Its IUPAC name is (E,3S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3-phenylmethoxyhex-4-enal.

Molecular Properties

Compound Name(E,3S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3-phenylmethoxyhex-4-enal
PubChem CID10904195
Molecular FormulaC20H32O3Si
Molecular Weight348.56 g/mol
Exact Mass348.21
IUPAC Name(E,3S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3-phenylmethoxyhex-4-enal
SMILESC/C(=C\CO[Si](C)(C)C(C)(C)C)[C@H](CC=O)OCc1ccccc1
InChIInChI=1S/C20H32O3Si/c1-17(13-15-23-24(5,6)20(2,3)4)19(12-14-21)22-16-18-10-8-7-9-11-18/h7-11,13-14,19H,12,15-16H2,1-6H3/b17-13+/t19-/m0/s1
InChIKeyBEHBJKHACIHISB-UMEYKSNOSA-N
XLogP5.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.56
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (E,3S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3-phenylmethoxyhex-4-enal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,8R)-3-[tert-butyl(dimethyl)silyl]oxy-8-phenylmethoxydecanedial
CID 101138351
(2R,3S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxypent-4-en-2-ol
CID 101470111
phenyl (2S)-5-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanoate
CID 10971723
(4R,5S)-6-[tert-butyl(dimethyl)silyl]oxy-5-(dibenzylamino)-4-phenylmethoxyhexanal
CID 11180121
methanol;3-phenylmethoxybutanal
CID 170758415
(E,2S,3S)-7-[tert-butyl(dimethyl)silyl]oxy-5-methyl-2-phenylmethoxyhept-4-en-3-ol
CID 101339691
(2R,3R,4S)-1-[tert-butyl(dimethyl)silyl]oxy-2,5-dimethyl-4-phenylmethoxyhexan-3-ol
CID 10546896
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-5-phenylmethoxyhexanal
CID 139917803
3-phenylmethoxypentanedial
CID 154678181
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-phenylmethoxypentanal
CID 102255365
(3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-[(2S,3S,4R,5S,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]butanal
CID 11650644
(2E,6Z,9S,10S)-9-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-10-phenylmethoxyundeca-2,6-dienal
CID 10928395

Frequently Asked Questions

What is the IUPAC name of (E,3S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3-phenylmethoxyhex-4-enal?
The IUPAC name of (E,3S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3-phenylmethoxyhex-4-enal (CID 10904195) is (E,3S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3-phenylmethoxyhex-4-enal.
What is the SMILES notation for (E,3S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3-phenylmethoxyhex-4-enal?
The canonical SMILES for (E,3S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3-phenylmethoxyhex-4-enal is C/C(=C\CO[Si](C)(C)C(C)(C)C)[C@H](CC=O)OCc1ccccc1.
What is the InChIKey of (E,3S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3-phenylmethoxyhex-4-enal?
The InChIKey is BEHBJKHACIHISB-UMEYKSNOSA-N. The full InChI is InChI=1S/C20H32O3Si/c1-17(13-15-23-24(5,6)20(2,3)4)19(12-14-21)22-16-18-10-8-7-9-11-18/h7-11,13-14,19H,12,15-16H2,1-6H3/b17-13+/t19-/m0/s1.
What are the key properties of (E,3S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3-phenylmethoxyhex-4-enal?
(E,3S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3-phenylmethoxyhex-4-enal has a molecular weight of 348.56 g/mol, XLogP of 5.13, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3S)-6-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3-phenylmethoxyhex-4-enal is sourced from PubChem (CID 10904195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).