(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-enal

C12H24O2Si — CID 10977251

IUPAC(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-enal
SMILESC=C[C@H](C)[C@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O2Si/c1-8-10(2)11(9-13)14-15(6,7)12(3,4)5/h8-11H,1H2,2-7H3/t10-,11-/m0/s1
InChIKeyWMYLZFAKRUUXLH-QWRGUYRKSA-N
MW228.41 g/mol
LogP3.40
Rot. Bonds5

About (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-enal

(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-enal (PubChem CID 10977251) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-enal.

Molecular Properties

Compound Name(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-enal
PubChem CID10977251
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Name(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-enal
SMILESC=C[C@H](C)[C@H](C=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O2Si/c1-8-10(2)11(9-13)14-15(6,7)12(3,4)5/h8-11H,1H2,2-7H3/t10-,11-/m0/s1
InChIKeyWMYLZFAKRUUXLH-QWRGUYRKSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethylpent-4-enal
CID 134931119
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-propan-2-ylpent-4-enal
CID 134992905
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-3,3-dimethylpent-4-enal
CID 10900819
(2R,3S)-3-{[tert-Butyl(dimethyl)silyl]oxy}-2-methylpent-4-enal
CID 71427752
(2R,3R,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-5-enal
CID 102111757
2-[Tert-butyl(dimethyl)silyl]oxy-2-methoxy-3-methylpent-4-enal
CID 134923054
2-Methoxy-3-methyl-2-trimethylsilyloxypent-4-enal
CID 134923187
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenylhexanal
CID 134930661
(2R)-2-[tert-butyl(dimethyl)silyl]oxyhex-5-enal
CID 134967854
(2R,3R)-3-tert-butyl-2-[tert-butyl(dimethyl)silyl]oxypent-4-enal
CID 134992612
(2S,3R)-2-methyl-3-triethylsilyloxyhex-5-enal
CID 135041296
(2R,3R,4R)-2,4-dimethyl-3-triethylsilyloxyhex-5-enal
CID 138979488

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-enal?
The IUPAC name of (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-enal (CID 10977251) is (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-enal.
What is the SMILES notation for (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-enal?
The canonical SMILES for (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-enal is C=C[C@H](C)[C@H](C=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-enal?
The InChIKey is WMYLZFAKRUUXLH-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-8-10(2)11(9-13)14-15(6,7)12(3,4)5/h8-11H,1H2,2-7H3/t10-,11-/m0/s1.
What are the key properties of (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-enal?
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-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 (2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-enal is sourced from PubChem (CID 10977251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).