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

C12H24O2Si — CID 71427752

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

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

(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enal (PubChem CID 71427752) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enal.

Molecular Properties

Compound Name(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enal
PubChem CID71427752
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Name(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enal
SMILESC=C[C@H](O[Si](C)(C)C(C)(C)C)C(C)C=O
InChIInChI=1S/C12H24O2Si/c1-8-11(10(2)9-13)14-15(6,7)12(3,4)5/h8-11H,1H2,2-7H3/t10?,11-/m0/s1
InChIKeyHGTJKBNSACWFPP-DTIOYNMSSA-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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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enal?
The IUPAC name of (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enal (CID 71427752) is (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enal.
What is the SMILES notation for (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enal?
The canonical SMILES for (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enal is C=C[C@H](O[Si](C)(C)C(C)(C)C)C(C)C=O.
What is the InChIKey of (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enal?
The InChIKey is HGTJKBNSACWFPP-DTIOYNMSSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-8-11(10(2)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)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enal?
(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-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)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpent-4-enal is sourced from PubChem (CID 71427752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).