(Z)-8-[tert-butyl(dimethyl)silyl]oxy-3-iodo-4-triethylsilyloxyoct-2-enal

C20H41IO3Si2 — CID 44604040

IUPAC(Z)-8-[tert-butyl(dimethyl)silyl]oxy-3-iodo-4-triethylsilyloxyoct-2-enal
SMILESCC[Si](CC)(CC)OC(CCCCO[Si](C)(C)C(C)(C)C)/C(I)=C/C=O
InChIInChI=1S/C20H41IO3Si2/c1-9-26(10-2,11-3)24-19(18(21)15-16-22)14-12-13-17-23-25(7,8)20(4,5)6/h15-16,19H,9-14,17H2,1-8H3/b18-15-
InChIKeyXKZQBOKOKGVCKV-SDXDJHTJSA-N
MW512.62 g/mol
LogP7.09
Rot. Bonds13

About (Z)-8-[tert-butyl(dimethyl)silyl]oxy-3-iodo-4-triethylsilyloxyoct-2-enal

(Z)-8-[tert-butyl(dimethyl)silyl]oxy-3-iodo-4-triethylsilyloxyoct-2-enal (PubChem CID 44604040) has the molecular formula C20H41IO3Si2 and a molecular weight of 512.62 g/mol. Its IUPAC name is (Z)-8-[tert-butyl(dimethyl)silyl]oxy-3-iodo-4-triethylsilyloxyoct-2-enal.

Molecular Properties

Compound Name(Z)-8-[tert-butyl(dimethyl)silyl]oxy-3-iodo-4-triethylsilyloxyoct-2-enal
PubChem CID44604040
Molecular FormulaC20H41IO3Si2
Molecular Weight512.62 g/mol
Exact Mass512.16
IUPAC Name(Z)-8-[tert-butyl(dimethyl)silyl]oxy-3-iodo-4-triethylsilyloxyoct-2-enal
SMILESCC[Si](CC)(CC)OC(CCCCO[Si](C)(C)C(C)(C)C)/C(I)=C/C=O
InChIInChI=1S/C20H41IO3Si2/c1-9-26(10-2,11-3)24-19(18(21)15-16-22)14-12-13-17-23-25(7,8)20(4,5)6/h15-16,19H,9-14,17H2,1-8H3/b18-15-
InChIKeyXKZQBOKOKGVCKV-SDXDJHTJSA-N
XLogP7.09
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.62
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-[(Z)-6-iodo-5-triethylsilyloxynon-6-en-8-ynoxy]-dimethylsilane
CID 44604041
(4S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]oct-2-enal
CID 53911941
(Z,4S)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]oct-2-enal
CID 11728780

Frequently Asked Questions

What is the IUPAC name of (Z)-8-[tert-butyl(dimethyl)silyl]oxy-3-iodo-4-triethylsilyloxyoct-2-enal?
The IUPAC name of (Z)-8-[tert-butyl(dimethyl)silyl]oxy-3-iodo-4-triethylsilyloxyoct-2-enal (CID 44604040) is (Z)-8-[tert-butyl(dimethyl)silyl]oxy-3-iodo-4-triethylsilyloxyoct-2-enal.
What is the SMILES notation for (Z)-8-[tert-butyl(dimethyl)silyl]oxy-3-iodo-4-triethylsilyloxyoct-2-enal?
The canonical SMILES for (Z)-8-[tert-butyl(dimethyl)silyl]oxy-3-iodo-4-triethylsilyloxyoct-2-enal is CC[Si](CC)(CC)OC(CCCCO[Si](C)(C)C(C)(C)C)/C(I)=C/C=O.
What is the InChIKey of (Z)-8-[tert-butyl(dimethyl)silyl]oxy-3-iodo-4-triethylsilyloxyoct-2-enal?
The InChIKey is XKZQBOKOKGVCKV-SDXDJHTJSA-N. The full InChI is InChI=1S/C20H41IO3Si2/c1-9-26(10-2,11-3)24-19(18(21)15-16-22)14-12-13-17-23-25(7,8)20(4,5)6/h15-16,19H,9-14,17H2,1-8H3/b18-15-.
What are the key properties of (Z)-8-[tert-butyl(dimethyl)silyl]oxy-3-iodo-4-triethylsilyloxyoct-2-enal?
(Z)-8-[tert-butyl(dimethyl)silyl]oxy-3-iodo-4-triethylsilyloxyoct-2-enal has a molecular weight of 512.62 g/mol, XLogP of 7.09, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-8-[tert-butyl(dimethyl)silyl]oxy-3-iodo-4-triethylsilyloxyoct-2-enal is sourced from PubChem (CID 44604040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).