(E,4R)-4-[tert-butyl(diphenyl)silyl]oxy-7-trimethylsilylhept-2-en-6-ynal;(2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-trimethylsilylpent-4-ynal;tert-butyl-[(4R,5E,7E)-8-iodo-1-trimethylsilylocta-5,7-dien-1-yn-4-yl]oxy-diphenylsilane;[methyl(triphenyl)-λ5-phosphanyl]formaldehyde

C97H120IO6PSi6 — CID 158235016

IUPAC(E,4R)-4-[tert-butyl(diphenyl)silyl]oxy-7-trimethylsilylhept-2-en-6-ynal;(2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-trimethylsilylpent-4-ynal;tert-butyl-[(4R,5E,7E)-8-iodo-1-trimethylsilylocta-5,7-dien-1-yn-4-yl]oxy-diphenylsilane;[methyl(triphenyl)-λ5-phosphanyl]formaldehyde
SMILESCC(C)(C)[Si](O[C@@H](/C=C/C=C/I)CC#C[Si](C)(C)C)(c1ccccc1)c1ccccc1.CC(C)(C)[Si](O[C@@H](/C=C/C=O)CC#C[Si](C)(C)C)(c1ccccc1)c1ccccc1.CC(C)(C)[Si](O[C@@H](C=O)CC#C[Si](C)(C)C)(c1ccccc1)c1ccccc1.CP(C=O)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H35IOSi2.C26H34O2Si2.C24H32O2Si2.C20H19OP/c1-27(2,3)31(25-18-9-7-10-19-25,26-20-11-8-12-21-26)29-24(16-13-14-22-28)17-15-23-30(4,5)6;1-26(2,3)30(24-17-9-7-10-18-24,25-19-11-8-12-20-25)28-23(15-13-21-27)16-14-22-29(4,5)6;1-24(2,3)28(22-15-9-7-10-16-22,23-17-11-8-12-18-23)26-21(20-25)14-13-19-27(4,5)6;1-22(17-21,18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h7-14,16,18-22,24H,17H2,1-6H3;7-13,15,17-21,23H,16H2,1-6H3;7-12,15-18,20-21H,14H2,1-6H3;2-17H,1H3/b16-13+,22-14+;15-13+;;/t24-;23-;21-;/m001./s1
InChIKeyGEVXTDPRLBBFKQ-NGQUWTHKSA-N
MW1708.41 g/mol
LogP19.40
Rot. Bonds24

About (E,4R)-4-[tert-butyl(diphenyl)silyl]oxy-7-trimethylsilylhept-2-en-6-ynal;(2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-trimethylsilylpent-4-ynal;tert-butyl-[(4R,5E,7E)-8-iodo-1-trimethylsilylocta-5,7-dien-1-yn-4-yl]oxy-diphenylsilane;[methyl(triphenyl)-λ5-phosphanyl]formaldehyde

(E,4R)-4-[tert-butyl(diphenyl)silyl]oxy-7-trimethylsilylhept-2-en-6-ynal;(2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-trimethylsilylpent-4-ynal;tert-butyl-[(4R,5E,7E)-8-iodo-1-trimethylsilylocta-5,7-dien-1-yn-4-yl]oxy-diphenylsilane;[methyl(triphenyl)-λ5-phosphanyl]formaldehyde (PubChem CID 158235016) has the molecular formula C97H120IO6PSi6 and a molecular weight of 1708.41 g/mol. Its IUPAC name is (E,4R)-4-[tert-butyl(diphenyl)silyl]oxy-7-trimethylsilylhept-2-en-6-ynal;(2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-trimethylsilylpent-4-ynal;tert-butyl-[(4R,5E,7E)-8-iodo-1-trimethylsilylocta-5,7-dien-1-yn-4-yl]oxy-diphenylsilane;[methyl(triphenyl)-λ5-phosphanyl]formaldehyde.

Molecular Properties

Compound Name(E,4R)-4-[tert-butyl(diphenyl)silyl]oxy-7-trimethylsilylhept-2-en-6-ynal;(2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-trimethylsilylpent-4-ynal;tert-butyl-[(4R,5E,7E)-8-iodo-1-trimethylsilylocta-5,7-dien-1-yn-4-yl]oxy-diphenylsilane;[methyl(triphenyl)-λ5-phosphanyl]formaldehyde
PubChem CID158235016
Molecular FormulaC97H120IO6PSi6
Molecular Weight1708.41 g/mol
Exact Mass1706.65
IUPAC Name(E,4R)-4-[tert-butyl(diphenyl)silyl]oxy-7-trimethylsilylhept-2-en-6-ynal;(2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-trimethylsilylpent-4-ynal;tert-butyl-[(4R,5E,7E)-8-iodo-1-trimethylsilylocta-5,7-dien-1-yn-4-yl]oxy-diphenylsilane;[methyl(triphenyl)-λ5-phosphanyl]formaldehyde
SMILESCC(C)(C)[Si](O[C@@H](/C=C/C=C/I)CC#C[Si](C)(C)C)(c1ccccc1)c1ccccc1.CC(C)(C)[Si](O[C@@H](/C=C/C=O)CC#C[Si](C)(C)C)(c1ccccc1)c1ccccc1.CC(C)(C)[Si](O[C@@H](C=O)CC#C[Si](C)(C)C)(c1ccccc1)c1ccccc1.CP(C=O)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H35IOSi2.C26H34O2Si2.C24H32O2Si2.C20H19OP/c1-27(2,3)31(25-18-9-7-10-19-25,26-20-11-8-12-21-26)29-24(16-13-14-22-28)17-15-23-30(4,5)6;1-26(2,3)30(24-17-9-7-10-18-24,25-19-11-8-12-20-25)28-23(15-13-21-27)16-14-22-29(4,5)6;1-24(2,3)28(22-15-9-7-10-16-22,23-17-11-8-12-18-23)26-21(20-25)14-13-19-27(4,5)6;1-22(17-21,18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h7-14,16,18-22,24H,17H2,1-6H3;7-13,15,17-21,23H,16H2,1-6H3;7-12,15-18,20-21H,14H2,1-6H3;2-17H,1H3/b16-13+,22-14+;15-13+;;/t24-;23-;21-;/m001./s1
InChIKeyGEVXTDPRLBBFKQ-NGQUWTHKSA-N
XLogP19.40
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds24
Heavy Atoms111
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001708.41
LogP ≤ 519.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E,4R)-4-[tert-butyl(diphenyl)silyl]oxy-7-trimethylsilylhept-2-en-6-ynal;(2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-trimethylsilylpent-4-ynal;tert-butyl-[(4R,5E,7E)-8-iodo-1-trimethylsilylocta-5,7-dien-1-yn-4-yl]oxy-diphenylsilane;[methyl(triphenyl)-λ5-phosphanyl]formaldehyde with MolForge

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Related Compounds

[(4R,6S)-4,6-bis[[tert-butyl(diphenyl)silyl]oxy]oct-7-en-1-ynyl]-trimethylsilane
CID 139649655
tert-butyl-diphenyl-[(Z)-8-phenylmethoxy-1-trimethylsilyloct-5-en-1-yn-4-yl]oxysilane
CID 10602555
2-[tert-butyl(dimethyl)silyl]oxy-5-trimethylsilylpent-4-ynal
CID 58461604
(2S)-2-[tert-butyl(diphenyl)silyl]oxyheptanal
CID 10937503
3-[tert-butyl(diphenyl)silyl]oxypent-4-enal
CID 85402432
methyl (3R)-3-[tert-butyl(diphenyl)silyl]oxy-4-oxobutanoate
CID 11303215
tert-butyl-[(E,3R)-1-iodooct-1-en-3-yl]oxy-diphenylsilane
CID 10719924
prop-2-enyl (3S,5R)-3,5-bis[[tert-butyl(diphenyl)silyl]oxy]-6-oxohexanoate
CID 14669635
tert-butyl N-[(4S,5R)-5-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-8-trimethylsilyloct-1-en-7-yn-4-yl]carbamate
CID 54754730
5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentanal
CID 72966538
tert-butyl-[(3E)-9-[tert-butyl(dimethyl)silyl]oxynona-1,3-dien-5-yl]oxy-diphenylsilane
CID 11364212
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methoxypropanal
CID 11131691

Frequently Asked Questions

What is the IUPAC name of (E,4R)-4-[tert-butyl(diphenyl)silyl]oxy-7-trimethylsilylhept-2-en-6-ynal;(2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-trimethylsilylpent-4-ynal;tert-butyl-[(4R,5E,7E)-8-iodo-1-trimethylsilylocta-5,7-dien-1-yn-4-yl]oxy-diphenylsilane;[methyl(triphenyl)-λ5-phosphanyl]formaldehyde?
The IUPAC name of (E,4R)-4-[tert-butyl(diphenyl)silyl]oxy-7-trimethylsilylhept-2-en-6-ynal;(2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-trimethylsilylpent-4-ynal;tert-butyl-[(4R,5E,7E)-8-iodo-1-trimethylsilylocta-5,7-dien-1-yn-4-yl]oxy-diphenylsilane;[methyl(triphenyl)-λ5-phosphanyl]formaldehyde (CID 158235016) is (E,4R)-4-[tert-butyl(diphenyl)silyl]oxy-7-trimethylsilylhept-2-en-6-ynal;(2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-trimethylsilylpent-4-ynal;tert-butyl-[(4R,5E,7E)-8-iodo-1-trimethylsilylocta-5,7-dien-1-yn-4-yl]oxy-diphenylsilane;[methyl(triphenyl)-λ5-phosphanyl]formaldehyde.
What is the SMILES notation for (E,4R)-4-[tert-butyl(diphenyl)silyl]oxy-7-trimethylsilylhept-2-en-6-ynal;(2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-trimethylsilylpent-4-ynal;tert-butyl-[(4R,5E,7E)-8-iodo-1-trimethylsilylocta-5,7-dien-1-yn-4-yl]oxy-diphenylsilane;[methyl(triphenyl)-λ5-phosphanyl]formaldehyde?
The canonical SMILES for (E,4R)-4-[tert-butyl(diphenyl)silyl]oxy-7-trimethylsilylhept-2-en-6-ynal;(2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-trimethylsilylpent-4-ynal;tert-butyl-[(4R,5E,7E)-8-iodo-1-trimethylsilylocta-5,7-dien-1-yn-4-yl]oxy-diphenylsilane;[methyl(triphenyl)-λ5-phosphanyl]formaldehyde is CC(C)(C)[Si](O[C@@H](/C=C/C=C/I)CC#C[Si](C)(C)C)(c1ccccc1)c1ccccc1.CC(C)(C)[Si](O[C@@H](/C=C/C=O)CC#C[Si](C)(C)C)(c1ccccc1)c1ccccc1.CC(C)(C)[Si](O[C@@H](C=O)CC#C[Si](C)(C)C)(c1ccccc1)c1ccccc1.CP(C=O)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E,4R)-4-[tert-butyl(diphenyl)silyl]oxy-7-trimethylsilylhept-2-en-6-ynal;(2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-trimethylsilylpent-4-ynal;tert-butyl-[(4R,5E,7E)-8-iodo-1-trimethylsilylocta-5,7-dien-1-yn-4-yl]oxy-diphenylsilane;[methyl(triphenyl)-λ5-phosphanyl]formaldehyde?
The InChIKey is GEVXTDPRLBBFKQ-NGQUWTHKSA-N. The full InChI is InChI=1S/C27H35IOSi2.C26H34O2Si2.C24H32O2Si2.C20H19OP/c1-27(2,3)31(25-18-9-7-10-19-25,26-20-11-8-12-21-26)29-24(16-13-14-22-28)17-15-23-30(4,5)6;1-26(2,3)30(24-17-9-7-10-18-24,25-19-11-8-12-20-25)28-23(15-13-21-27)16-14-22-29(4,5)6;1-24(2,3)28(22-15-9-7-10-16-22,23-17-11-8-12-18-23)26-21(20-25)14-13-19-27(4,5)6;1-22(17-21,18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h7-14,16,18-22,24H,17H2,1-6H3;7-13,15,17-21,23H,16H2,1-6H3;7-12,15-18,20-21H,14H2,1-6H3;2-17H,1H3/b16-13+,22-14+;15-13+;;/t24-;23-;21-;/m001./s1.
What are the key properties of (E,4R)-4-[tert-butyl(diphenyl)silyl]oxy-7-trimethylsilylhept-2-en-6-ynal;(2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-trimethylsilylpent-4-ynal;tert-butyl-[(4R,5E,7E)-8-iodo-1-trimethylsilylocta-5,7-dien-1-yn-4-yl]oxy-diphenylsilane;[methyl(triphenyl)-λ5-phosphanyl]formaldehyde?
(E,4R)-4-[tert-butyl(diphenyl)silyl]oxy-7-trimethylsilylhept-2-en-6-ynal;(2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-trimethylsilylpent-4-ynal;tert-butyl-[(4R,5E,7E)-8-iodo-1-trimethylsilylocta-5,7-dien-1-yn-4-yl]oxy-diphenylsilane;[methyl(triphenyl)-λ5-phosphanyl]formaldehyde has a molecular weight of 1708.41 g/mol, XLogP of 19.40, 24 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4R)-4-[tert-butyl(diphenyl)silyl]oxy-7-trimethylsilylhept-2-en-6-ynal;(2R)-2-[tert-butyl(diphenyl)silyl]oxy-5-trimethylsilylpent-4-ynal;tert-butyl-[(4R,5E,7E)-8-iodo-1-trimethylsilylocta-5,7-dien-1-yn-4-yl]oxy-diphenylsilane;[methyl(triphenyl)-λ5-phosphanyl]formaldehyde is sourced from PubChem (CID 158235016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).