[(1R,2R,3E,5E)-6-iodo-2,4-dimethyl-1-[(2S,3R,4S)-4-methyl-3-trimethylsilyloxyhexan-2-yl]hexa-3,5-dienoxy]-trimethylsilane

C21H43IO2Si2 — CID 134983131

IUPAC[(1R,2R,3E,5E)-6-iodo-2,4-dimethyl-1-[(2S,3R,4S)-4-methyl-3-trimethylsilyloxyhexan-2-yl]hexa-3,5-dienoxy]-trimethylsilane
SMILESCC[C@H](C)[C@@H](O[Si](C)(C)C)[C@H](C)[C@H](O[Si](C)(C)C)[C@H](C)/C=C(C)/C=C/I
InChIInChI=1S/C21H43IO2Si2/c1-12-17(3)20(23-25(6,7)8)19(5)21(24-26(9,10)11)18(4)15-16(2)13-14-22/h13-15,17-21H,12H2,1-11H3/b14-13+,16-15+/t17-,18+,19-,20+,21+/m0/s1
InChIKeyWVZOOZBOGIVMMG-JVPCKDTKSA-N
MW510.65 g/mol
LogP7.64
Rot. Bonds11

About [(1R,2R,3E,5E)-6-iodo-2,4-dimethyl-1-[(2S,3R,4S)-4-methyl-3-trimethylsilyloxyhexan-2-yl]hexa-3,5-dienoxy]-trimethylsilane

[(1R,2R,3E,5E)-6-iodo-2,4-dimethyl-1-[(2S,3R,4S)-4-methyl-3-trimethylsilyloxyhexan-2-yl]hexa-3,5-dienoxy]-trimethylsilane (PubChem CID 134983131) has the molecular formula C21H43IO2Si2 and a molecular weight of 510.65 g/mol. Its IUPAC name is [(1R,2R,3E,5E)-6-iodo-2,4-dimethyl-1-[(2S,3R,4S)-4-methyl-3-trimethylsilyloxyhexan-2-yl]hexa-3,5-dienoxy]-trimethylsilane.

Molecular Properties

Compound Name[(1R,2R,3E,5E)-6-iodo-2,4-dimethyl-1-[(2S,3R,4S)-4-methyl-3-trimethylsilyloxyhexan-2-yl]hexa-3,5-dienoxy]-trimethylsilane
PubChem CID134983131
Molecular FormulaC21H43IO2Si2
Molecular Weight510.65 g/mol
Exact Mass510.18
IUPAC Name[(1R,2R,3E,5E)-6-iodo-2,4-dimethyl-1-[(2S,3R,4S)-4-methyl-3-trimethylsilyloxyhexan-2-yl]hexa-3,5-dienoxy]-trimethylsilane
SMILESCC[C@H](C)[C@@H](O[Si](C)(C)C)[C@H](C)[C@H](O[Si](C)(C)C)[C@H](C)/C=C(C)/C=C/I
InChIInChI=1S/C21H43IO2Si2/c1-12-17(3)20(23-25(6,7)8)19(5)21(24-26(9,10)11)18(4)15-16(2)13-14-22/h13-15,17-21H,12H2,1-11H3/b14-13+,16-15+/t17-,18+,19-,20+,21+/m0/s1
InChIKeyWVZOOZBOGIVMMG-JVPCKDTKSA-N
XLogP7.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.65
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(1R,2R,3E,5E)-6-iodo-2,4-dimethyl-1-[(2S,3R,4S)-4-methyl-3-trimethylsilyloxyhexan-2-yl]hexa-3,5-dienoxy]-trimethylsilane with MolForge

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Related Compounds

[(2E,12R,13S)-13-bicyclo[10.2.1]pentadeca-1(15),2-dienyl]oxy-tert-butyl-dimethylsilane
CID 11302087
tert-butyl-[(2R,3S,4R,5S,6S,7Z)-1-iodo-2,4,6-trimethyl-5-triethylsilyloxydeca-7,9-dien-3-yl]oxy-dimethylsilane
CID 16069310
(1E,3E,5R,6S,7R,8R,9S,11E)-8-[tert-butyl(dimethyl)silyl]oxy-1-iodo-3,5,7,9,11-pentamethyltrideca-1,3,11-trien-6-ol
CID 24740596
tert-butyl-[(1Z,3S,4R,5S,6Z,9S,10R,11R,12S,13S,14Z)-1-iodo-12-(methoxymethoxy)-3,5,7,9,11,13-hexamethyl-10-tri(propan-2-yl)silyloxyheptadeca-1,6,14,16-tetraen-4-yl]oxy-dimethylsilane
CID 134932612
triethyl-[[(3R,6R)-3-[(1R)-1-triethylsilyloxyethyl]-1,2,3,4,5,6-hexahydroazulen-6-yl]methoxy]silane
CID 134940845
[(1R,2R,3E,5Z)-6-iodo-2,4-dimethyl-1-[(2S,3R,4S)-4-methyl-3-trimethylsilyloxyhexan-2-yl]hexa-3,5-dienoxy]-trimethylsilane
CID 134981763
[(2E)-13-bicyclo[10.2.1]pentadeca-1(15),2-dienyl]oxy-tert-butyl-dimethylsilane
CID 134982478
(1E,3R,4S,6R,9S,10S,11S,12Z,15S,16R,17R,18S,19S,20Z)-10,16-bis[[tert-butyl(dimethyl)silyl]oxy]-1-iodo-3,9,11,13,15,17,19-heptamethyltricosa-1,12,20,22-tetraene-4,6,18-triol
CID 139252532
[(3Z)-3,7-dimethyl-8-trimethylsilyloxycyclooct-3-en-1-yl]oxy-trimethylsilane
CID 23092750
tert-butyl-[(3S,4S,5E,7Z)-3-[tert-butyl(dimethyl)silyl]oxy-8-iodo-4,6-dimethylocta-5,7-dienoxy]-dimethylsilane
CID 59202256
(3,7-Dimethyl-8-trimethylsilyloxycyclooct-3-en-1-yl)oxy-trimethylsilane
CID 68742405
[(Z,1S,2S,8S)-3,9-bis[[tert-butyl(dimethyl)silyl]oxy]-1-[(2S,3Z)-hexa-3,5-dien-2-yl]-2,4,6,8,10-pentamethyl-11-triethylsilyloxyundec-6-enoxy]-triethylsilane
CID 88063134

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3E,5E)-6-iodo-2,4-dimethyl-1-[(2S,3R,4S)-4-methyl-3-trimethylsilyloxyhexan-2-yl]hexa-3,5-dienoxy]-trimethylsilane?
The IUPAC name of [(1R,2R,3E,5E)-6-iodo-2,4-dimethyl-1-[(2S,3R,4S)-4-methyl-3-trimethylsilyloxyhexan-2-yl]hexa-3,5-dienoxy]-trimethylsilane (CID 134983131) is [(1R,2R,3E,5E)-6-iodo-2,4-dimethyl-1-[(2S,3R,4S)-4-methyl-3-trimethylsilyloxyhexan-2-yl]hexa-3,5-dienoxy]-trimethylsilane.
What is the SMILES notation for [(1R,2R,3E,5E)-6-iodo-2,4-dimethyl-1-[(2S,3R,4S)-4-methyl-3-trimethylsilyloxyhexan-2-yl]hexa-3,5-dienoxy]-trimethylsilane?
The canonical SMILES for [(1R,2R,3E,5E)-6-iodo-2,4-dimethyl-1-[(2S,3R,4S)-4-methyl-3-trimethylsilyloxyhexan-2-yl]hexa-3,5-dienoxy]-trimethylsilane is CC[C@H](C)[C@@H](O[Si](C)(C)C)[C@H](C)[C@H](O[Si](C)(C)C)[C@H](C)/C=C(C)/C=C/I.
What is the InChIKey of [(1R,2R,3E,5E)-6-iodo-2,4-dimethyl-1-[(2S,3R,4S)-4-methyl-3-trimethylsilyloxyhexan-2-yl]hexa-3,5-dienoxy]-trimethylsilane?
The InChIKey is WVZOOZBOGIVMMG-JVPCKDTKSA-N. The full InChI is InChI=1S/C21H43IO2Si2/c1-12-17(3)20(23-25(6,7)8)19(5)21(24-26(9,10)11)18(4)15-16(2)13-14-22/h13-15,17-21H,12H2,1-11H3/b14-13+,16-15+/t17-,18+,19-,20+,21+/m0/s1.
What are the key properties of [(1R,2R,3E,5E)-6-iodo-2,4-dimethyl-1-[(2S,3R,4S)-4-methyl-3-trimethylsilyloxyhexan-2-yl]hexa-3,5-dienoxy]-trimethylsilane?
[(1R,2R,3E,5E)-6-iodo-2,4-dimethyl-1-[(2S,3R,4S)-4-methyl-3-trimethylsilyloxyhexan-2-yl]hexa-3,5-dienoxy]-trimethylsilane has a molecular weight of 510.65 g/mol, XLogP of 7.64, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3E,5E)-6-iodo-2,4-dimethyl-1-[(2S,3R,4S)-4-methyl-3-trimethylsilyloxyhexan-2-yl]hexa-3,5-dienoxy]-trimethylsilane is sourced from PubChem (CID 134983131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).