[(3Z,7E,11E,15E,19E)-22-(3,3-dimethyloxiran-2-yl)-7,11,16,20-tetramethyldocosa-3,7,11,15,19-pentaen-1-ynyl]-trimethylsilane

C33H54OSi — CID 10939973

IUPAC[(3Z,7E,11E,15E,19E)-22-(3,3-dimethyloxiran-2-yl)-7,11,16,20-tetramethyldocosa-3,7,11,15,19-pentaen-1-ynyl]-trimethylsilane
SMILESC/C(=C\CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC1OC1(C)C)CC/C=C\C#C[Si](C)(C)C
InChIInChI=1S/C33H54OSi/c1-28(18-12-10-11-15-27-35(7,8)9)21-16-22-29(2)19-13-14-20-30(3)23-17-24-31(4)25-26-32-33(5,6)34-32/h10-11,19-21,24,32H,12-14,16-18,22-23,25-26H2,1-9H3/b11-10-,28-21+,29-19+,30-20+,31-24+
InChIKeyWHPADZKNCXDPMH-OWLHNRNTSA-N
MW494.88 g/mol
LogP10.29
Rot. Bonds15

About [(3Z,7E,11E,15E,19E)-22-(3,3-dimethyloxiran-2-yl)-7,11,16,20-tetramethyldocosa-3,7,11,15,19-pentaen-1-ynyl]-trimethylsilane

[(3Z,7E,11E,15E,19E)-22-(3,3-dimethyloxiran-2-yl)-7,11,16,20-tetramethyldocosa-3,7,11,15,19-pentaen-1-ynyl]-trimethylsilane (PubChem CID 10939973) has the molecular formula C33H54OSi and a molecular weight of 494.88 g/mol. Its IUPAC name is [(3Z,7E,11E,15E,19E)-22-(3,3-dimethyloxiran-2-yl)-7,11,16,20-tetramethyldocosa-3,7,11,15,19-pentaen-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(3Z,7E,11E,15E,19E)-22-(3,3-dimethyloxiran-2-yl)-7,11,16,20-tetramethyldocosa-3,7,11,15,19-pentaen-1-ynyl]-trimethylsilane
PubChem CID10939973
Molecular FormulaC33H54OSi
Molecular Weight494.88 g/mol
Exact Mass494.39
IUPAC Name[(3Z,7E,11E,15E,19E)-22-(3,3-dimethyloxiran-2-yl)-7,11,16,20-tetramethyldocosa-3,7,11,15,19-pentaen-1-ynyl]-trimethylsilane
SMILESC/C(=C\CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC1OC1(C)C)CC/C=C\C#C[Si](C)(C)C
InChIInChI=1S/C33H54OSi/c1-28(18-12-10-11-15-27-35(7,8)9)21-16-22-29(2)19-13-14-20-30(3)23-17-24-31(4)25-26-32-33(5,6)34-32/h10-11,19-21,24,32H,12-14,16-18,22-23,25-26H2,1-9H3/b11-10-,28-21+,29-19+,30-20+,31-24+
InChIKeyWHPADZKNCXDPMH-OWLHNRNTSA-N
XLogP10.29
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.88
LogP ≤ 510.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze [(3Z,7E,11E,15E,19E)-22-(3,3-dimethyloxiran-2-yl)-7,11,16,20-tetramethyldocosa-3,7,11,15,19-pentaen-1-ynyl]-trimethylsilane with MolForge

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Related Compounds

29-Methylidene-2,3-oxidosqualene
CID 6438780
2,2-Dimethyl-3-(3,7,12-trimethyl-hexadeca-3,7,11,15-tetraenyl)-oxirane
CID 44368023
(S,E)-1-(tert-butyldimethylsilyl)-7-(3,3-dimethyloxiran-2-yl)-5-methylhept-4-en-1-one
CID 11001417
(4E,8E,12E)-1-[tert-butyl(dimethyl)silyl]-15-[(2S)-3,3-dimethyloxiran-2-yl]-5,9,13-trimethylpentadeca-4,8,12-trien-1-one
CID 11123187
[(2Z,6Z,10E)-13-[(2S)-3,3-dimethyloxiran-2-yl]-2-[(E)-6-[(2S)-3,3-dimethyloxiran-2-yl]-4-methylhex-3-enyl]-11-methyl-7-(trimethylsilylmethyl)trideca-2,6,10-trienyl]-trimethylsilane
CID 11376749
[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-triethoxysilane
CID 23162265
tert-butyl-[(2E,6E)-9-[(2S)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoxy]-dimethylsilane
CID 135074337
[(7Z,11Z,15E,19E)-22-(3,3-dimethyloxiran-2-yl)-12-fluoro-5,5,8,11,16,20-hexamethyldocosa-7,11,15,19-tetraen-2-ynyl]-trimethylsilane
CID 11006070
2,2-Dimethyl-3-(3,7,12-trimethylhexadeca-3,7,11,15-tetraenyl)oxirane
CID 53999670
[1-(3,3-Dimethyloxiran-2-ylmethyl)-3,7-dimethylocta-2,6-dienyl]trimethylsilane
CID 5366406
2,2-Dimethyl-3-(3,7,16,20-tetramethyl-heneicosa-3,7,11,15,19-pentaenyl)-oxirane
CID 5367592
2,2-dimethyl-3-[(3E,7E,11E,15Z)-3,7,12-trimethyloctadeca-3,7,11,15-tetraen-17-ynyl]oxirane
CID 10893615

Frequently Asked Questions

What is the IUPAC name of [(3Z,7E,11E,15E,19E)-22-(3,3-dimethyloxiran-2-yl)-7,11,16,20-tetramethyldocosa-3,7,11,15,19-pentaen-1-ynyl]-trimethylsilane?
The IUPAC name of [(3Z,7E,11E,15E,19E)-22-(3,3-dimethyloxiran-2-yl)-7,11,16,20-tetramethyldocosa-3,7,11,15,19-pentaen-1-ynyl]-trimethylsilane (CID 10939973) is [(3Z,7E,11E,15E,19E)-22-(3,3-dimethyloxiran-2-yl)-7,11,16,20-tetramethyldocosa-3,7,11,15,19-pentaen-1-ynyl]-trimethylsilane.
What is the SMILES notation for [(3Z,7E,11E,15E,19E)-22-(3,3-dimethyloxiran-2-yl)-7,11,16,20-tetramethyldocosa-3,7,11,15,19-pentaen-1-ynyl]-trimethylsilane?
The canonical SMILES for [(3Z,7E,11E,15E,19E)-22-(3,3-dimethyloxiran-2-yl)-7,11,16,20-tetramethyldocosa-3,7,11,15,19-pentaen-1-ynyl]-trimethylsilane is C/C(=C\CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC1OC1(C)C)CC/C=C\C#C[Si](C)(C)C.
What is the InChIKey of [(3Z,7E,11E,15E,19E)-22-(3,3-dimethyloxiran-2-yl)-7,11,16,20-tetramethyldocosa-3,7,11,15,19-pentaen-1-ynyl]-trimethylsilane?
The InChIKey is WHPADZKNCXDPMH-OWLHNRNTSA-N. The full InChI is InChI=1S/C33H54OSi/c1-28(18-12-10-11-15-27-35(7,8)9)21-16-22-29(2)19-13-14-20-30(3)23-17-24-31(4)25-26-32-33(5,6)34-32/h10-11,19-21,24,32H,12-14,16-18,22-23,25-26H2,1-9H3/b11-10-,28-21+,29-19+,30-20+,31-24+.
What are the key properties of [(3Z,7E,11E,15E,19E)-22-(3,3-dimethyloxiran-2-yl)-7,11,16,20-tetramethyldocosa-3,7,11,15,19-pentaen-1-ynyl]-trimethylsilane?
[(3Z,7E,11E,15E,19E)-22-(3,3-dimethyloxiran-2-yl)-7,11,16,20-tetramethyldocosa-3,7,11,15,19-pentaen-1-ynyl]-trimethylsilane has a molecular weight of 494.88 g/mol, XLogP of 10.29, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z,7E,11E,15E,19E)-22-(3,3-dimethyloxiran-2-yl)-7,11,16,20-tetramethyldocosa-3,7,11,15,19-pentaen-1-ynyl]-trimethylsilane is sourced from PubChem (CID 10939973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).