(2R)-2-[(1E,3R,4R,6R,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-8-iodo-3-methyl-3,4-bis(triethylsilyloxy)octa-1,7-dienyl]-2,3-dihydropyran-6-one

C32H61IO5Si3 — CID 11285603

IUPAC(2R)-2-[(1E,3R,4R,6R,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-8-iodo-3-methyl-3,4-bis(triethylsilyloxy)octa-1,7-dienyl]-2,3-dihydropyran-6-one
SMILESCC[Si](CC)(CC)O[C@H](C[C@H](/C=C\I)O[Si](C)(C)C(C)(C)C)[C@@](C)(/C=C/[C@H]1CC=CC(=O)O1)O[Si](CC)(CC)CC
InChIInChI=1S/C32H61IO5Si3/c1-13-40(14-2,15-3)37-29(26-28(23-25-33)36-39(11,12)31(7,8)9)32(10,38-41(16-4,17-5)18-6)24-22-27-20-19-21-30(34)35-27/h19,21-25,27-29H,13-18,20,26H2,1-12H3/b24-22+,25-23-/t27-,28+,29-,32-/m1/s1
InChIKeyUYQPAXQGJFPYMG-UCGBCGQDSA-N
MW737.00 g/mol
LogP10.31
Rot. Bonds18

About (2R)-2-[(1E,3R,4R,6R,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-8-iodo-3-methyl-3,4-bis(triethylsilyloxy)octa-1,7-dienyl]-2,3-dihydropyran-6-one

(2R)-2-[(1E,3R,4R,6R,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-8-iodo-3-methyl-3,4-bis(triethylsilyloxy)octa-1,7-dienyl]-2,3-dihydropyran-6-one (PubChem CID 11285603) has the molecular formula C32H61IO5Si3 and a molecular weight of 737.00 g/mol. Its IUPAC name is (2R)-2-[(1E,3R,4R,6R,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-8-iodo-3-methyl-3,4-bis(triethylsilyloxy)octa-1,7-dienyl]-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name(2R)-2-[(1E,3R,4R,6R,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-8-iodo-3-methyl-3,4-bis(triethylsilyloxy)octa-1,7-dienyl]-2,3-dihydropyran-6-one
PubChem CID11285603
Molecular FormulaC32H61IO5Si3
Molecular Weight737.00 g/mol
Exact Mass736.29
IUPAC Name(2R)-2-[(1E,3R,4R,6R,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-8-iodo-3-methyl-3,4-bis(triethylsilyloxy)octa-1,7-dienyl]-2,3-dihydropyran-6-one
SMILESCC[Si](CC)(CC)O[C@H](C[C@H](/C=C\I)O[Si](C)(C)C(C)(C)C)[C@@](C)(/C=C/[C@H]1CC=CC(=O)O1)O[Si](CC)(CC)CC
InChIInChI=1S/C32H61IO5Si3/c1-13-40(14-2,15-3)37-29(26-28(23-25-33)36-39(11,12)31(7,8)9)32(10,38-41(16-4,17-5)18-6)24-22-27-20-19-21-30(34)35-27/h19,21-25,27-29H,13-18,20,26H2,1-12H3/b24-22+,25-23-/t27-,28+,29-,32-/m1/s1
InChIKeyUYQPAXQGJFPYMG-UCGBCGQDSA-N
XLogP10.31
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.00
LogP ≤ 510.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R)-2-[(1E,3R,4R,6R,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-8-iodo-3-methyl-3,4-bis(triethylsilyloxy)octa-1,7-dienyl]-2,3-dihydropyran-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1E,3R,4R,6R,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-8-iodo-3-methyl-3,4-bis(triethylsilyloxy)octa-1,7-dienyl]-2,3-dihydropyran-6-one?
The IUPAC name of (2R)-2-[(1E,3R,4R,6R,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-8-iodo-3-methyl-3,4-bis(triethylsilyloxy)octa-1,7-dienyl]-2,3-dihydropyran-6-one (CID 11285603) is (2R)-2-[(1E,3R,4R,6R,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-8-iodo-3-methyl-3,4-bis(triethylsilyloxy)octa-1,7-dienyl]-2,3-dihydropyran-6-one.
What is the SMILES notation for (2R)-2-[(1E,3R,4R,6R,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-8-iodo-3-methyl-3,4-bis(triethylsilyloxy)octa-1,7-dienyl]-2,3-dihydropyran-6-one?
The canonical SMILES for (2R)-2-[(1E,3R,4R,6R,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-8-iodo-3-methyl-3,4-bis(triethylsilyloxy)octa-1,7-dienyl]-2,3-dihydropyran-6-one is CC[Si](CC)(CC)O[C@H](C[C@H](/C=C\I)O[Si](C)(C)C(C)(C)C)[C@@](C)(/C=C/[C@H]1CC=CC(=O)O1)O[Si](CC)(CC)CC.
What is the InChIKey of (2R)-2-[(1E,3R,4R,6R,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-8-iodo-3-methyl-3,4-bis(triethylsilyloxy)octa-1,7-dienyl]-2,3-dihydropyran-6-one?
The InChIKey is UYQPAXQGJFPYMG-UCGBCGQDSA-N. The full InChI is InChI=1S/C32H61IO5Si3/c1-13-40(14-2,15-3)37-29(26-28(23-25-33)36-39(11,12)31(7,8)9)32(10,38-41(16-4,17-5)18-6)24-22-27-20-19-21-30(34)35-27/h19,21-25,27-29H,13-18,20,26H2,1-12H3/b24-22+,25-23-/t27-,28+,29-,32-/m1/s1.
What are the key properties of (2R)-2-[(1E,3R,4R,6R,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-8-iodo-3-methyl-3,4-bis(triethylsilyloxy)octa-1,7-dienyl]-2,3-dihydropyran-6-one?
(2R)-2-[(1E,3R,4R,6R,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-8-iodo-3-methyl-3,4-bis(triethylsilyloxy)octa-1,7-dienyl]-2,3-dihydropyran-6-one has a molecular weight of 737.00 g/mol, XLogP of 10.31, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1E,3R,4R,6R,7Z)-6-[tert-butyl(dimethyl)silyl]oxy-8-iodo-3-methyl-3,4-bis(triethylsilyloxy)octa-1,7-dienyl]-2,3-dihydropyran-6-one is sourced from PubChem (CID 11285603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).