[(3E,7E,11E,15E)-18-(3,3-dimethyloxiran-2-yl)-7,12,16-trimethyloctadeca-3,7,11,15-tetraen-1-ynyl]-trimethylsilane

C28H46OSi — CID 10862849

IUPAC[(3E,7E,11E,15E)-18-(3,3-dimethyloxiran-2-yl)-7,12,16-trimethyloctadeca-3,7,11,15-tetraen-1-ynyl]-trimethylsilane
SMILESC/C(=C\CC/C=C(\C)CC/C=C(\C)CCC1OC1(C)C)CC/C=C/C#C[Si](C)(C)C
InChIInChI=1S/C28H46OSi/c1-24(16-11-9-10-14-23-30(6,7)8)17-12-13-18-25(2)19-15-20-26(3)21-22-27-28(4,5)29-27/h9-10,17-18,20,27H,11-13,15-16,19,21-22H2,1-8H3/b10-9+,24-17+,25-18+,26-20+
InChIKeyLTLAHELNUZVCCL-GTOMDJGTSA-N
MW426.76 g/mol
LogP8.56
Rot. Bonds12

About [(3E,7E,11E,15E)-18-(3,3-dimethyloxiran-2-yl)-7,12,16-trimethyloctadeca-3,7,11,15-tetraen-1-ynyl]-trimethylsilane

[(3E,7E,11E,15E)-18-(3,3-dimethyloxiran-2-yl)-7,12,16-trimethyloctadeca-3,7,11,15-tetraen-1-ynyl]-trimethylsilane (PubChem CID 10862849) has the molecular formula C28H46OSi and a molecular weight of 426.76 g/mol. Its IUPAC name is [(3E,7E,11E,15E)-18-(3,3-dimethyloxiran-2-yl)-7,12,16-trimethyloctadeca-3,7,11,15-tetraen-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(3E,7E,11E,15E)-18-(3,3-dimethyloxiran-2-yl)-7,12,16-trimethyloctadeca-3,7,11,15-tetraen-1-ynyl]-trimethylsilane
PubChem CID10862849
Molecular FormulaC28H46OSi
Molecular Weight426.76 g/mol
Exact Mass426.33
IUPAC Name[(3E,7E,11E,15E)-18-(3,3-dimethyloxiran-2-yl)-7,12,16-trimethyloctadeca-3,7,11,15-tetraen-1-ynyl]-trimethylsilane
SMILESC/C(=C\CC/C=C(\C)CC/C=C(\C)CCC1OC1(C)C)CC/C=C/C#C[Si](C)(C)C
InChIInChI=1S/C28H46OSi/c1-24(16-11-9-10-14-23-30(6,7)8)17-12-13-18-25(2)19-15-20-26(3)21-22-27-28(4,5)29-27/h9-10,17-18,20,27H,11-13,15-16,19,21-22H2,1-8H3/b10-9+,24-17+,25-18+,26-20+
InChIKeyLTLAHELNUZVCCL-GTOMDJGTSA-N
XLogP8.56
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.76
LogP ≤ 58.56
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 [(3E,7E,11E,15E)-18-(3,3-dimethyloxiran-2-yl)-7,12,16-trimethyloctadeca-3,7,11,15-tetraen-1-ynyl]-trimethylsilane with MolForge

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Launch Full Analysis

Related Compounds

(S)-2,3-Epoxysqualene
CID 5459811
2,3-Oxidosqualene
CID 5366020
29-Methylidene-2,3-oxidosqualene
CID 6438780
2,2-Dimethyl-3-(3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaenyl)oxirane
CID 693
2,2-Dimethyl-3-(3,7,12-trimethyl-hexadeca-3,7,11,15-tetraenyl)-oxirane
CID 44368023
CID 5280395
CID 5280395
(r)-Squalene oxide
CID 92257834
2,2-dimethyl-3-[(3E,7E,11E,15E)-3,7,11,15,20-pentamethylhenicosa-3,7,11,15,19-pentaenyl]oxirane
CID 12917198
(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

Frequently Asked Questions

What is the IUPAC name of [(3E,7E,11E,15E)-18-(3,3-dimethyloxiran-2-yl)-7,12,16-trimethyloctadeca-3,7,11,15-tetraen-1-ynyl]-trimethylsilane?
The IUPAC name of [(3E,7E,11E,15E)-18-(3,3-dimethyloxiran-2-yl)-7,12,16-trimethyloctadeca-3,7,11,15-tetraen-1-ynyl]-trimethylsilane (CID 10862849) is [(3E,7E,11E,15E)-18-(3,3-dimethyloxiran-2-yl)-7,12,16-trimethyloctadeca-3,7,11,15-tetraen-1-ynyl]-trimethylsilane.
What is the SMILES notation for [(3E,7E,11E,15E)-18-(3,3-dimethyloxiran-2-yl)-7,12,16-trimethyloctadeca-3,7,11,15-tetraen-1-ynyl]-trimethylsilane?
The canonical SMILES for [(3E,7E,11E,15E)-18-(3,3-dimethyloxiran-2-yl)-7,12,16-trimethyloctadeca-3,7,11,15-tetraen-1-ynyl]-trimethylsilane is 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 [(3E,7E,11E,15E)-18-(3,3-dimethyloxiran-2-yl)-7,12,16-trimethyloctadeca-3,7,11,15-tetraen-1-ynyl]-trimethylsilane?
The InChIKey is LTLAHELNUZVCCL-GTOMDJGTSA-N. The full InChI is InChI=1S/C28H46OSi/c1-24(16-11-9-10-14-23-30(6,7)8)17-12-13-18-25(2)19-15-20-26(3)21-22-27-28(4,5)29-27/h9-10,17-18,20,27H,11-13,15-16,19,21-22H2,1-8H3/b10-9+,24-17+,25-18+,26-20+.
What are the key properties of [(3E,7E,11E,15E)-18-(3,3-dimethyloxiran-2-yl)-7,12,16-trimethyloctadeca-3,7,11,15-tetraen-1-ynyl]-trimethylsilane?
[(3E,7E,11E,15E)-18-(3,3-dimethyloxiran-2-yl)-7,12,16-trimethyloctadeca-3,7,11,15-tetraen-1-ynyl]-trimethylsilane has a molecular weight of 426.76 g/mol, XLogP of 8.56, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,7E,11E,15E)-18-(3,3-dimethyloxiran-2-yl)-7,12,16-trimethyloctadeca-3,7,11,15-tetraen-1-ynyl]-trimethylsilane is sourced from PubChem (CID 10862849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).