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

C16H32O2Si — CID 134993139

IUPAC(2R,3R)-3-tert-butyl-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-enal
SMILESC=C[C@@](C)([C@H](C=O)O[Si](C)(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-11-16(8,14(2,3)4)13(12-17)18-19(9,10)15(5,6)7/h11-13H,1H2,2-10H3/t13-,16-/m0/s1
InChIKeyYXAOUXDMHDEAAG-BBRMVZONSA-N
MW284.52 g/mol
LogP4.81
Rot. Bonds5

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

(2R,3R)-3-tert-butyl-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-enal (PubChem CID 134993139) has the molecular formula C16H32O2Si and a molecular weight of 284.52 g/mol. Its IUPAC name is (2R,3R)-3-tert-butyl-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-enal.

Molecular Properties

Compound Name(2R,3R)-3-tert-butyl-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-enal
PubChem CID134993139
Molecular FormulaC16H32O2Si
Molecular Weight284.52 g/mol
Exact Mass284.22
IUPAC Name(2R,3R)-3-tert-butyl-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-enal
SMILESC=C[C@@](C)([C@H](C=O)O[Si](C)(C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H32O2Si/c1-11-16(8,14(2,3)4)13(12-17)18-19(9,10)15(5,6)7/h11-13H,1H2,2-10H3/t13-,16-/m0/s1
InChIKeyYXAOUXDMHDEAAG-BBRMVZONSA-N
XLogP4.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.52
LogP ≤ 54.81
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)-2-[tert-butyl(dimethyl)silyl]oxy-3-methyl-3-propan-2-ylpent-4-enal
CID 134930856
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethyl-3-methylpent-4-enal
CID 134931030
(2R,3R)-3-tert-butyl-2-[tert-butyl(dimethyl)silyl]oxypent-4-enal
CID 134992612
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylheptanal
CID 134992698
(2R,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3-ethenyl-3-methylhexanal
CID 134993133
3,3-Dimethyl-2-trimethylsilyloxyhex-5-enal
CID 101025334

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-tert-butyl-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-enal?
The IUPAC name of (2R,3R)-3-tert-butyl-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-enal (CID 134993139) is (2R,3R)-3-tert-butyl-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-enal.
What is the SMILES notation for (2R,3R)-3-tert-butyl-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-enal?
The canonical SMILES for (2R,3R)-3-tert-butyl-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-enal is C=C[C@@](C)([C@H](C=O)O[Si](C)(C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of (2R,3R)-3-tert-butyl-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-enal?
The InChIKey is YXAOUXDMHDEAAG-BBRMVZONSA-N. The full InChI is InChI=1S/C16H32O2Si/c1-11-16(8,14(2,3)4)13(12-17)18-19(9,10)15(5,6)7/h11-13H,1H2,2-10H3/t13-,16-/m0/s1.
What are the key properties of (2R,3R)-3-tert-butyl-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-enal?
(2R,3R)-3-tert-butyl-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-enal has a molecular weight of 284.52 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-tert-butyl-2-[tert-butyl(dimethyl)silyl]oxy-3-methylpent-4-enal is sourced from PubChem (CID 134993139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).