[(2R,6E,8E,10R,12S,14Z)-10,12-bis(triethylsilyloxy)-15-trimethylstannylpentadeca-6,8,14-trien-2-yl] (2Z,4E,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-9-iodonona-2,4,8-trienoate

C45H85IO5Si3Sn — CID 11147490

IUPAC[(2R,6E,8E,10R,12S,14Z)-10,12-bis(triethylsilyloxy)-15-trimethylstannylpentadeca-6,8,14-trien-2-yl] (2Z,4E,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-9-iodonona-2,4,8-trienoate
SMILESCC[Si](CC)(CC)O[C@@H](C/C=C\[Sn](C)(C)C)C[C@H](/C=C/C=C/CCC[C@@H](C)OC(=O)/C=C\C=C\C[C@@H](/C=C/I)O[Si](C)(C)C(C)(C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C42H76IO5Si3.3CH3.Sn/c1-14-29-39(47-50(15-2,16-3)17-4)36-40(48-51(18-5,19-6)20-7)32-26-23-21-22-25-30-37(8)45-41(44)33-28-24-27-31-38(34-35-43)46-49(12,13)42(9,10)11;;;;/h1,14,21,23-24,26-28,32-35,37-40H,15-20,22,25,29-31,36H2,2-13H3;3*1H3;/b14-1?,23-21+,27-24+,32-26+,33-28-,35-34+;;;;/t37-,38+,39+,40+;;;;/m1..../s1
InChIKeyGWJQBVNLDVNQBP-LSJBIBLPSA-N
MW1036.04 g/mol
LogP15.04
Rot. Bonds29

About [(2R,6E,8E,10R,12S,14Z)-10,12-bis(triethylsilyloxy)-15-trimethylstannylpentadeca-6,8,14-trien-2-yl] (2Z,4E,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-9-iodonona-2,4,8-trienoate

[(2R,6E,8E,10R,12S,14Z)-10,12-bis(triethylsilyloxy)-15-trimethylstannylpentadeca-6,8,14-trien-2-yl] (2Z,4E,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-9-iodonona-2,4,8-trienoate (PubChem CID 11147490) has the molecular formula C45H85IO5Si3Sn and a molecular weight of 1036.04 g/mol. Its IUPAC name is [(2R,6E,8E,10R,12S,14Z)-10,12-bis(triethylsilyloxy)-15-trimethylstannylpentadeca-6,8,14-trien-2-yl] (2Z,4E,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-9-iodonona-2,4,8-trienoate.

Molecular Properties

Compound Name[(2R,6E,8E,10R,12S,14Z)-10,12-bis(triethylsilyloxy)-15-trimethylstannylpentadeca-6,8,14-trien-2-yl] (2Z,4E,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-9-iodonona-2,4,8-trienoate
PubChem CID11147490
Molecular FormulaC45H85IO5Si3Sn
Molecular Weight1036.04 g/mol
Exact Mass1036.38
IUPAC Name[(2R,6E,8E,10R,12S,14Z)-10,12-bis(triethylsilyloxy)-15-trimethylstannylpentadeca-6,8,14-trien-2-yl] (2Z,4E,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-9-iodonona-2,4,8-trienoate
SMILESCC[Si](CC)(CC)O[C@@H](C/C=C\[Sn](C)(C)C)C[C@H](/C=C/C=C/CCC[C@@H](C)OC(=O)/C=C\C=C\C[C@@H](/C=C/I)O[Si](C)(C)C(C)(C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C42H76IO5Si3.3CH3.Sn/c1-14-29-39(47-50(15-2,16-3)17-4)36-40(48-51(18-5,19-6)20-7)32-26-23-21-22-25-30-37(8)45-41(44)33-28-24-27-31-38(34-35-43)46-49(12,13)42(9,10)11;;;;/h1,14,21,23-24,26-28,32-35,37-40H,15-20,22,25,29-31,36H2,2-13H3;3*1H3;/b14-1?,23-21+,27-24+,32-26+,33-28-,35-34+;;;;/t37-,38+,39+,40+;;;;/m1..../s1
InChIKeyGWJQBVNLDVNQBP-LSJBIBLPSA-N
XLogP15.04
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds29
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001036.04
LogP ≤ 515.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze [(2R,6E,8E,10R,12S,14Z)-10,12-bis(triethylsilyloxy)-15-trimethylstannylpentadeca-6,8,14-trien-2-yl] (2Z,4E,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-9-iodonona-2,4,8-trienoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3Z,5E,8S,9E,11Z,14S,16R,17E,19E,24R)-8-[tert-butyl(dimethyl)silyl]oxy-24-methyl-14,16-bis(triethylsilyloxy)-1-oxacyclotetracosa-3,5,9,11,17,19-hexaen-2-one
CID 10974685
ethyl (2Z,4E,6R,7S)-7,9-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylnona-2,4-dienoate
CID 11619467
methyl (2Z,4E,6R,7S)-7,9-bis[[tert-butyl(dimethyl)silyl]oxy]-6-methylnona-2,4-dienoate
CID 25022837
methyl (2E,4E,9R)-9-[tert-butyl(dimethyl)silyl]oxydeca-2,4-dienoate
CID 57327615
ethyl (2E,4E,6E,8E,10E,12E,14S,15R,16S,17S)-15-[tert-butyl(dimethyl)silyl]oxy-14,16-dimethyl-17-triethylsilyloxyoctadeca-2,4,6,8,10,12-hexaenoate
CID 72701906
ethyl (2E,4E,6S,7S,8S)-7-acetyloxy-9-[tert-butyl(dimethyl)silyl]oxy-6,8-dimethylnona-2,4-dienoate
CID 134982850
(3E,7S,10E,14S)-7,14-bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1,8-dioxacyclotetradeca-3,10-diene-2,9-dione
CID 138976732
methyl (2E,4E,7S,8E,10S,11R,12E)-7-[tert-butyl(dimethyl)silyl]oxy-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-10-ethyl-13-iodo-8,12-dimethyl-11-triethylsilyloxytrideca-2,4,8,12-tetraenoate
CID 138977844
(3Z,6S,8S,9E,11E)-8-[tert-butyl(dimethyl)silyl]oxy-6-methoxy-3,10-dimethyl-1-oxacyclotrideca-3,9,11-trien-2-one
CID 166441855
[(2R)-pent-4-en-2-yl] (2E,4R,5S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]nona-2,8-dienoate
CID 10917850
ethyl (E,5R,7S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2-methyloct-2-enoate
CID 11224583
ethyl (4E,6E,8S,9S)-9,11-bis[[tert-butyl(dimethyl)silyl]oxy]-6,8-dimethylundeca-2,4,6-trienoate
CID 57788245

Frequently Asked Questions

What is the IUPAC name of [(2R,6E,8E,10R,12S,14Z)-10,12-bis(triethylsilyloxy)-15-trimethylstannylpentadeca-6,8,14-trien-2-yl] (2Z,4E,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-9-iodonona-2,4,8-trienoate?
The IUPAC name of [(2R,6E,8E,10R,12S,14Z)-10,12-bis(triethylsilyloxy)-15-trimethylstannylpentadeca-6,8,14-trien-2-yl] (2Z,4E,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-9-iodonona-2,4,8-trienoate (CID 11147490) is [(2R,6E,8E,10R,12S,14Z)-10,12-bis(triethylsilyloxy)-15-trimethylstannylpentadeca-6,8,14-trien-2-yl] (2Z,4E,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-9-iodonona-2,4,8-trienoate.
What is the SMILES notation for [(2R,6E,8E,10R,12S,14Z)-10,12-bis(triethylsilyloxy)-15-trimethylstannylpentadeca-6,8,14-trien-2-yl] (2Z,4E,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-9-iodonona-2,4,8-trienoate?
The canonical SMILES for [(2R,6E,8E,10R,12S,14Z)-10,12-bis(triethylsilyloxy)-15-trimethylstannylpentadeca-6,8,14-trien-2-yl] (2Z,4E,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-9-iodonona-2,4,8-trienoate is CC[Si](CC)(CC)O[C@@H](C/C=C\[Sn](C)(C)C)C[C@H](/C=C/C=C/CCC[C@@H](C)OC(=O)/C=C\C=C\C[C@@H](/C=C/I)O[Si](C)(C)C(C)(C)C)O[Si](CC)(CC)CC.
What is the InChIKey of [(2R,6E,8E,10R,12S,14Z)-10,12-bis(triethylsilyloxy)-15-trimethylstannylpentadeca-6,8,14-trien-2-yl] (2Z,4E,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-9-iodonona-2,4,8-trienoate?
The InChIKey is GWJQBVNLDVNQBP-LSJBIBLPSA-N. The full InChI is InChI=1S/C42H76IO5Si3.3CH3.Sn/c1-14-29-39(47-50(15-2,16-3)17-4)36-40(48-51(18-5,19-6)20-7)32-26-23-21-22-25-30-37(8)45-41(44)33-28-24-27-31-38(34-35-43)46-49(12,13)42(9,10)11;;;;/h1,14,21,23-24,26-28,32-35,37-40H,15-20,22,25,29-31,36H2,2-13H3;3*1H3;/b14-1?,23-21+,27-24+,32-26+,33-28-,35-34+;;;;/t37-,38+,39+,40+;;;;/m1..../s1.
What are the key properties of [(2R,6E,8E,10R,12S,14Z)-10,12-bis(triethylsilyloxy)-15-trimethylstannylpentadeca-6,8,14-trien-2-yl] (2Z,4E,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-9-iodonona-2,4,8-trienoate?
[(2R,6E,8E,10R,12S,14Z)-10,12-bis(triethylsilyloxy)-15-trimethylstannylpentadeca-6,8,14-trien-2-yl] (2Z,4E,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-9-iodonona-2,4,8-trienoate has a molecular weight of 1036.04 g/mol, XLogP of 15.04, 29 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6E,8E,10R,12S,14Z)-10,12-bis(triethylsilyloxy)-15-trimethylstannylpentadeca-6,8,14-trien-2-yl] (2Z,4E,7S,8E)-7-[tert-butyl(dimethyl)silyl]oxy-9-iodonona-2,4,8-trienoate is sourced from PubChem (CID 11147490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).