[(4E,8E,12E,16E)-19-(3,3-dimethyloxiran-2-yl)-8,13,17-trimethyl-4-(4-methylpent-3-enyl)nonadeca-4,8,12,16-tetraen-1-ynyl]-trimethylsilane

C35H58OSi — CID 10929433

IUPAC[(4E,8E,12E,16E)-19-(3,3-dimethyloxiran-2-yl)-8,13,17-trimethyl-4-(4-methylpent-3-enyl)nonadeca-4,8,12,16-tetraen-1-ynyl]-trimethylsilane
SMILESCC(C)=CCC/C(=C\CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC1OC1(C)C)CC#C[Si](C)(C)C
InChIInChI=1S/C35H58OSi/c1-29(2)17-13-23-33(25-16-28-37(8,9)10)24-15-22-31(4)19-12-11-18-30(3)20-14-21-32(5)26-27-34-35(6,7)36-34/h17-19,21,24,34H,11-15,20,22-23,25-27H2,1-10H3/b30-18+,31-19+,32-21+,33-24+
InChIKeyWMTPRNQWOQJHOW-RRUXLLMNSA-N
MW522.93 g/mol
LogP11.07
Rot. Bonds16

About [(4E,8E,12E,16E)-19-(3,3-dimethyloxiran-2-yl)-8,13,17-trimethyl-4-(4-methylpent-3-enyl)nonadeca-4,8,12,16-tetraen-1-ynyl]-trimethylsilane

[(4E,8E,12E,16E)-19-(3,3-dimethyloxiran-2-yl)-8,13,17-trimethyl-4-(4-methylpent-3-enyl)nonadeca-4,8,12,16-tetraen-1-ynyl]-trimethylsilane (PubChem CID 10929433) has the molecular formula C35H58OSi and a molecular weight of 522.93 g/mol. Its IUPAC name is [(4E,8E,12E,16E)-19-(3,3-dimethyloxiran-2-yl)-8,13,17-trimethyl-4-(4-methylpent-3-enyl)nonadeca-4,8,12,16-tetraen-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(4E,8E,12E,16E)-19-(3,3-dimethyloxiran-2-yl)-8,13,17-trimethyl-4-(4-methylpent-3-enyl)nonadeca-4,8,12,16-tetraen-1-ynyl]-trimethylsilane
PubChem CID10929433
Molecular FormulaC35H58OSi
Molecular Weight522.93 g/mol
Exact Mass522.43
IUPAC Name[(4E,8E,12E,16E)-19-(3,3-dimethyloxiran-2-yl)-8,13,17-trimethyl-4-(4-methylpent-3-enyl)nonadeca-4,8,12,16-tetraen-1-ynyl]-trimethylsilane
SMILESCC(C)=CCC/C(=C\CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC1OC1(C)C)CC#C[Si](C)(C)C
InChIInChI=1S/C35H58OSi/c1-29(2)17-13-23-33(25-16-28-37(8,9)10)24-15-22-31(4)19-12-11-18-30(3)20-14-21-32(5)26-27-34-35(6,7)36-34/h17-19,21,24,34H,11-15,20,22-23,25-27H2,1-10H3/b30-18+,31-19+,32-21+,33-24+
InChIKeyWMTPRNQWOQJHOW-RRUXLLMNSA-N
XLogP11.07
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.93
LogP ≤ 511.07
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 [(4E,8E,12E,16E)-19-(3,3-dimethyloxiran-2-yl)-8,13,17-trimethyl-4-(4-methylpent-3-enyl)nonadeca-4,8,12,16-tetraen-1-ynyl]-trimethylsilane with MolForge

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Related Compounds

(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
tert-butyl-dimethyl-[[(2S,3S)-2-methyl-3-[(E)-3-methylnon-3-en-8-ynyl]oxiran-2-yl]methoxy]silane
CID 11302135
[(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
[(E)-7-(3,3-dimethyloxiran-2-yl)-6-methylhept-5-en-1-ynyl]-trimethylsilane
CID 138983337
[(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
[1-(3,3-Dimethyloxiran-2-ylmethyl)-3,7-dimethylocta-2,6-dienyl]trimethylsilane
CID 5366406
[(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
tert-butyl-[(2E,6E)-9-(3,3-dimethyloxiran-2-yl)-3,7-dimethylnona-2,6-dienoxy]-dimethylsilane
CID 10473237
[5-(3,3-Dimethyloxiran-2-yl)-3-methylpent-2-enyl]-triethoxysilane
CID 53789345

Frequently Asked Questions

What is the IUPAC name of [(4E,8E,12E,16E)-19-(3,3-dimethyloxiran-2-yl)-8,13,17-trimethyl-4-(4-methylpent-3-enyl)nonadeca-4,8,12,16-tetraen-1-ynyl]-trimethylsilane?
The IUPAC name of [(4E,8E,12E,16E)-19-(3,3-dimethyloxiran-2-yl)-8,13,17-trimethyl-4-(4-methylpent-3-enyl)nonadeca-4,8,12,16-tetraen-1-ynyl]-trimethylsilane (CID 10929433) is [(4E,8E,12E,16E)-19-(3,3-dimethyloxiran-2-yl)-8,13,17-trimethyl-4-(4-methylpent-3-enyl)nonadeca-4,8,12,16-tetraen-1-ynyl]-trimethylsilane.
What is the SMILES notation for [(4E,8E,12E,16E)-19-(3,3-dimethyloxiran-2-yl)-8,13,17-trimethyl-4-(4-methylpent-3-enyl)nonadeca-4,8,12,16-tetraen-1-ynyl]-trimethylsilane?
The canonical SMILES for [(4E,8E,12E,16E)-19-(3,3-dimethyloxiran-2-yl)-8,13,17-trimethyl-4-(4-methylpent-3-enyl)nonadeca-4,8,12,16-tetraen-1-ynyl]-trimethylsilane is CC(C)=CCC/C(=C\CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CCC1OC1(C)C)CC#C[Si](C)(C)C.
What is the InChIKey of [(4E,8E,12E,16E)-19-(3,3-dimethyloxiran-2-yl)-8,13,17-trimethyl-4-(4-methylpent-3-enyl)nonadeca-4,8,12,16-tetraen-1-ynyl]-trimethylsilane?
The InChIKey is WMTPRNQWOQJHOW-RRUXLLMNSA-N. The full InChI is InChI=1S/C35H58OSi/c1-29(2)17-13-23-33(25-16-28-37(8,9)10)24-15-22-31(4)19-12-11-18-30(3)20-14-21-32(5)26-27-34-35(6,7)36-34/h17-19,21,24,34H,11-15,20,22-23,25-27H2,1-10H3/b30-18+,31-19+,32-21+,33-24+.
What are the key properties of [(4E,8E,12E,16E)-19-(3,3-dimethyloxiran-2-yl)-8,13,17-trimethyl-4-(4-methylpent-3-enyl)nonadeca-4,8,12,16-tetraen-1-ynyl]-trimethylsilane?
[(4E,8E,12E,16E)-19-(3,3-dimethyloxiran-2-yl)-8,13,17-trimethyl-4-(4-methylpent-3-enyl)nonadeca-4,8,12,16-tetraen-1-ynyl]-trimethylsilane has a molecular weight of 522.93 g/mol, XLogP of 11.07, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4E,8E,12E,16E)-19-(3,3-dimethyloxiran-2-yl)-8,13,17-trimethyl-4-(4-methylpent-3-enyl)nonadeca-4,8,12,16-tetraen-1-ynyl]-trimethylsilane is sourced from PubChem (CID 10929433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).