(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enal

C11H21IO2Si — CID 155934252

IUPAC(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enal
SMILESCC(C)(C)[Si](C)(C)O[C@H](/C=C/I)CC=O
InChIInChI=1S/C11H21IO2Si/c1-11(2,3)15(4,5)14-10(6-8-12)7-9-13/h6,8-10H,7H2,1-5H3/b8-6+/t10-/m1/s1
InChIKeyAUSQFCJFTUDUNO-QEHWCHDUSA-N
MW340.28 g/mol
LogP3.91
Rot. Bonds5

About (E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enal

(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enal (PubChem CID 155934252) has the molecular formula C11H21IO2Si and a molecular weight of 340.28 g/mol. Its IUPAC name is (E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enal.

Molecular Properties

Compound Name(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enal
PubChem CID155934252
Molecular FormulaC11H21IO2Si
Molecular Weight340.28 g/mol
Exact Mass340.04
IUPAC Name(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enal
SMILESCC(C)(C)[Si](C)(C)O[C@H](/C=C/I)CC=O
InChIInChI=1S/C11H21IO2Si/c1-11(2,3)15(4,5)14-10(6-8-12)7-9-13/h6,8-10H,7H2,1-5H3/b8-6+/t10-/m1/s1
InChIKeyAUSQFCJFTUDUNO-QEHWCHDUSA-N
XLogP3.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.28
LogP ≤ 53.91
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,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enal?
The IUPAC name of (E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enal (CID 155934252) is (E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enal.
What is the SMILES notation for (E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enal?
The canonical SMILES for (E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enal is CC(C)(C)[Si](C)(C)O[C@H](/C=C/I)CC=O.
What is the InChIKey of (E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enal?
The InChIKey is AUSQFCJFTUDUNO-QEHWCHDUSA-N. The full InChI is InChI=1S/C11H21IO2Si/c1-11(2,3)15(4,5)14-10(6-8-12)7-9-13/h6,8-10H,7H2,1-5H3/b8-6+/t10-/m1/s1.
What are the key properties of (E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enal?
(E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enal has a molecular weight of 340.28 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3S)-3-[tert-butyl(dimethyl)silyl]oxy-5-iodopent-4-enal is sourced from PubChem (CID 155934252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).