(E,2R)-5-iodo-4-methyl-2-triethylsilyloxypent-4-enal

C12H23IO2Si — CID 11851118

IUPAC(E,2R)-5-iodo-4-methyl-2-triethylsilyloxypent-4-enal
SMILESCC[Si](CC)(CC)O[C@@H](C=O)C/C(C)=C/I
InChIInChI=1S/C12H23IO2Si/c1-5-16(6-2,7-3)15-12(10-14)8-11(4)9-13/h9-10,12H,5-8H2,1-4H3/b11-9+/t12-/m1/s1
InChIKeyQLRKNTSTZXLMEM-LMMOQWNQSA-N
MW354.30 g/mol
LogP4.30
Rot. Bonds8

About (E,2R)-5-iodo-4-methyl-2-triethylsilyloxypent-4-enal

(E,2R)-5-iodo-4-methyl-2-triethylsilyloxypent-4-enal (PubChem CID 11851118) has the molecular formula C12H23IO2Si and a molecular weight of 354.30 g/mol. Its IUPAC name is (E,2R)-5-iodo-4-methyl-2-triethylsilyloxypent-4-enal.

Molecular Properties

Compound Name(E,2R)-5-iodo-4-methyl-2-triethylsilyloxypent-4-enal
PubChem CID11851118
Molecular FormulaC12H23IO2Si
Molecular Weight354.30 g/mol
Exact Mass354.05
IUPAC Name(E,2R)-5-iodo-4-methyl-2-triethylsilyloxypent-4-enal
SMILESCC[Si](CC)(CC)O[C@@H](C=O)C/C(C)=C/I
InChIInChI=1S/C12H23IO2Si/c1-5-16(6-2,7-3)15-12(10-14)8-11(4)9-13/h9-10,12H,5-8H2,1-4H3/b11-9+/t12-/m1/s1
InChIKeyQLRKNTSTZXLMEM-LMMOQWNQSA-N
XLogP4.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.30
LogP ≤ 54.30
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': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,2R)-5-iodo-4-methyl-2-triethylsilyloxypent-4-enal?
The IUPAC name of (E,2R)-5-iodo-4-methyl-2-triethylsilyloxypent-4-enal (CID 11851118) is (E,2R)-5-iodo-4-methyl-2-triethylsilyloxypent-4-enal.
What is the SMILES notation for (E,2R)-5-iodo-4-methyl-2-triethylsilyloxypent-4-enal?
The canonical SMILES for (E,2R)-5-iodo-4-methyl-2-triethylsilyloxypent-4-enal is CC[Si](CC)(CC)O[C@@H](C=O)C/C(C)=C/I.
What is the InChIKey of (E,2R)-5-iodo-4-methyl-2-triethylsilyloxypent-4-enal?
The InChIKey is QLRKNTSTZXLMEM-LMMOQWNQSA-N. The full InChI is InChI=1S/C12H23IO2Si/c1-5-16(6-2,7-3)15-12(10-14)8-11(4)9-13/h9-10,12H,5-8H2,1-4H3/b11-9+/t12-/m1/s1.
What are the key properties of (E,2R)-5-iodo-4-methyl-2-triethylsilyloxypent-4-enal?
(E,2R)-5-iodo-4-methyl-2-triethylsilyloxypent-4-enal has a molecular weight of 354.30 g/mol, XLogP of 4.30, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-5-iodo-4-methyl-2-triethylsilyloxypent-4-enal is sourced from PubChem (CID 11851118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).