(E,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enal

C12H24O2Si — CID 11499590

IUPAC(E,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enal
SMILESC[C@@H](/C=C/C=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O2Si/c1-11(8-7-9-13)10-14-15(5,6)12(2,3)4/h7-9,11H,10H2,1-6H3/b8-7+/t11-/m0/s1
InChIKeyCESSVDOKGMGZBI-AEZGRPFRSA-N
MW228.41 g/mol
LogP3.40
Rot. Bonds5

About (E,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enal

(E,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enal (PubChem CID 11499590) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is (E,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enal.

Molecular Properties

Compound Name(E,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enal
PubChem CID11499590
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Name(E,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enal
SMILESC[C@@H](/C=C/C=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O2Si/c1-11(8-7-9-13)10-14-15(5,6)12(2,3)4/h7-9,11H,10H2,1-6H3/b8-7+/t11-/m0/s1
InChIKeyCESSVDOKGMGZBI-AEZGRPFRSA-N
XLogP3.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-7-[tert-butyl(dimethyl)silyl]oxyhept-2-enal
CID 11311065
(2E,4S)-4-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-2-pentenal
CID 10512836
(2Z)-2-[2,2-di(propan-2-yl)oxasilolan-3-ylidene]acetaldehyde
CID 10910861
(E)-5-[tert-butyl(dimethyl)silyl]oxypent-2-enal
CID 11600961
(Z)-2-fluoro-5-(tert-butyldimethylsilyloxy)-2-pentenal
CID 20063409
(Z)-5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-enal
CID 21651764
5-[Dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-enal
CID 53786690
2-Fluoro-5-(tert-butyldimethylsilyloxy)-2-pentenal
CID 54231229
(E,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-4-methylhex-2-enal
CID 59466568
(E)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoropent-2-enal
CID 88472264
(E)-5-[dimethyl(2-methylpentan-2-yl)silyl]oxy-2-fluoropent-2-enal
CID 88610366
(E,4R,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-4-methylhex-2-enal
CID 88956755

Frequently Asked Questions

What is the IUPAC name of (E,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enal?
The IUPAC name of (E,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enal (CID 11499590) is (E,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enal.
What is the SMILES notation for (E,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enal?
The canonical SMILES for (E,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enal is C[C@@H](/C=C/C=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enal?
The InChIKey is CESSVDOKGMGZBI-AEZGRPFRSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-11(8-7-9-13)10-14-15(5,6)12(2,3)4/h7-9,11H,10H2,1-6H3/b8-7+/t11-/m0/s1.
What are the key properties of (E,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enal?
(E,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enal has a molecular weight of 228.41 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-enal is sourced from PubChem (CID 11499590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).