(E,2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-[3-(furan-2-yl)propyl]hex-4-enal

C19H32O3Si — CID 102147195

IUPAC(E,2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-[3-(furan-2-yl)propyl]hex-4-enal
SMILESCC(C)(C)[Si](C)(C)OC/C=C/C[C@@H](C=O)CCCc1ccco1
InChIInChI=1S/C19H32O3Si/c1-19(2,3)23(4,5)22-15-7-6-10-17(16-20)11-8-12-18-13-9-14-21-18/h6-7,9,13-14,16-17H,8,10-12,15H2,1-5H3/b7-6+/t17-/m1/s1
InChIKeyZRAPXUFJGLZANL-DKRLNXSXSA-N
MW336.55 g/mol
LogP5.39
Rot. Bonds10

About (E,2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-[3-(furan-2-yl)propyl]hex-4-enal

(E,2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-[3-(furan-2-yl)propyl]hex-4-enal (PubChem CID 102147195) has the molecular formula C19H32O3Si and a molecular weight of 336.55 g/mol. Its IUPAC name is (E,2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-[3-(furan-2-yl)propyl]hex-4-enal.

Molecular Properties

Compound Name(E,2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-[3-(furan-2-yl)propyl]hex-4-enal
PubChem CID102147195
Molecular FormulaC19H32O3Si
Molecular Weight336.55 g/mol
Exact Mass336.21
IUPAC Name(E,2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-[3-(furan-2-yl)propyl]hex-4-enal
SMILESCC(C)(C)[Si](C)(C)OC/C=C/C[C@@H](C=O)CCCc1ccco1
InChIInChI=1S/C19H32O3Si/c1-19(2,3)23(4,5)22-15-7-6-10-17(16-20)11-8-12-18-13-9-14-21-18/h6-7,9,13-14,16-17H,8,10-12,15H2,1-5H3/b7-6+/t17-/m1/s1
InChIKeyZRAPXUFJGLZANL-DKRLNXSXSA-N
XLogP5.39
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.55
LogP ≤ 55.39
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,2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-[3-(furan-2-yl)propyl]hex-4-enal with MolForge

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Related Compounds

5-(furan-2-yl)pentyl formate
CID 87851919
6-(furan-2-yl)hexyl formate
CID 87852506
[(Z)-3-(1,3,2-benzodioxaborol-2-yl)prop-2-enoxy]-tert-butyl-dimethylsilane
CID 101153950
4-(furan-2-yl)butanal
CID 14455558
5-(furan-2-yl)-2-methylpentanoic acid
CID 82075109
(E)-6-[tert-butyl(dimethyl)silyl]oxyhex-4-enal
CID 19914775
2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]isoindole-1,3-dione
CID 150593659
2,3-dimethylbutan-2-yl-[(E)-6-(furan-2-yl)-3-methylhex-3-enoxy]-dimethylsilane
CID 10615855
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexa-2,4-dienoxy]-dimethylsilane
CID 123215238
(Z)-6-[tert-butyl(dimethyl)silyl]oxy-3-(furan-2-yl)hex-2-enal
CID 135014928
N-[3-(furan-2-yl)propyl]formamide
CID 87322197
tert-butyl-(5,5-dimethylhex-2-enoxy)-dimethylsilane
CID 76815810

Frequently Asked Questions

What is the IUPAC name of (E,2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-[3-(furan-2-yl)propyl]hex-4-enal?
The IUPAC name of (E,2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-[3-(furan-2-yl)propyl]hex-4-enal (CID 102147195) is (E,2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-[3-(furan-2-yl)propyl]hex-4-enal.
What is the SMILES notation for (E,2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-[3-(furan-2-yl)propyl]hex-4-enal?
The canonical SMILES for (E,2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-[3-(furan-2-yl)propyl]hex-4-enal is CC(C)(C)[Si](C)(C)OC/C=C/C[C@@H](C=O)CCCc1ccco1.
What is the InChIKey of (E,2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-[3-(furan-2-yl)propyl]hex-4-enal?
The InChIKey is ZRAPXUFJGLZANL-DKRLNXSXSA-N. The full InChI is InChI=1S/C19H32O3Si/c1-19(2,3)23(4,5)22-15-7-6-10-17(16-20)11-8-12-18-13-9-14-21-18/h6-7,9,13-14,16-17H,8,10-12,15H2,1-5H3/b7-6+/t17-/m1/s1.
What are the key properties of (E,2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-[3-(furan-2-yl)propyl]hex-4-enal?
(E,2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-[3-(furan-2-yl)propyl]hex-4-enal has a molecular weight of 336.55 g/mol, XLogP of 5.39, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-6-[tert-butyl(dimethyl)silyl]oxy-2-[3-(furan-2-yl)propyl]hex-4-enal is sourced from PubChem (CID 102147195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).