(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-5-methylhex-5-enal

C13H25IO2Si — CID 59051220

IUPAC(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-5-methylhex-5-enal
SMILESC/C(=C\I)C[C@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H25IO2Si/c1-11(10-14)9-12(7-8-15)16-17(5,6)13(2,3)4/h8,10,12H,7,9H2,1-6H3/b11-10+/t12-/m0/s1
InChIKeyBOIFXBGUCHPJMD-IIANPFDCSA-N
MW368.33 g/mol
LogP4.69
Rot. Bonds6

About (E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-5-methylhex-5-enal

(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-5-methylhex-5-enal (PubChem CID 59051220) has the molecular formula C13H25IO2Si and a molecular weight of 368.33 g/mol. Its IUPAC name is (E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-5-methylhex-5-enal.

Molecular Properties

Compound Name(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-5-methylhex-5-enal
PubChem CID59051220
Molecular FormulaC13H25IO2Si
Molecular Weight368.33 g/mol
Exact Mass368.07
IUPAC Name(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-5-methylhex-5-enal
SMILESC/C(=C\I)C[C@H](CC=O)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H25IO2Si/c1-11(10-14)9-12(7-8-15)16-17(5,6)13(2,3)4/h8,10,12H,7,9H2,1-6H3/b11-10+/t12-/m0/s1
InChIKeyBOIFXBGUCHPJMD-IIANPFDCSA-N
XLogP4.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.33
LogP ≤ 54.69
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,3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-5-methylhex-5-enal?
The IUPAC name of (E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-5-methylhex-5-enal (CID 59051220) is (E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-5-methylhex-5-enal.
What is the SMILES notation for (E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-5-methylhex-5-enal?
The canonical SMILES for (E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-5-methylhex-5-enal is C/C(=C\I)C[C@H](CC=O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-5-methylhex-5-enal?
The InChIKey is BOIFXBGUCHPJMD-IIANPFDCSA-N. The full InChI is InChI=1S/C13H25IO2Si/c1-11(10-14)9-12(7-8-15)16-17(5,6)13(2,3)4/h8,10,12H,7,9H2,1-6H3/b11-10+/t12-/m0/s1.
What are the key properties of (E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-5-methylhex-5-enal?
(E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-5-methylhex-5-enal has a molecular weight of 368.33 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,3R)-3-[tert-butyl(dimethyl)silyl]oxy-6-iodo-5-methylhex-5-enal is sourced from PubChem (CID 59051220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).