[(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

C36H66O2Si2 — CID 11376749

IUPAC[(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
SMILESC/C(=C\CC/C(=C/CC/C=C(/CC/C=C(\C)CC[C@@H]1OC1(C)C)C[Si](C)(C)C)C[Si](C)(C)C)CC[C@@H]1OC1(C)C
InChIInChI=1S/C36H66O2Si2/c1-29(23-25-33-35(3,4)37-33)17-15-21-31(27-39(7,8)9)19-13-14-20-32(28-40(10,11)12)22-16-18-30(2)24-26-34-36(5,6)38-34/h17-20,33-34H,13-16,21-28H2,1-12H3/b29-17+,30-18+,31-19-,32-20-/t33-,34-/m0/s1
InChIKeyCMAKZUWWBRDRCJ-RMZRUIKNSA-N
MW587.09 g/mol
LogP11.66
Rot. Bonds19

About [(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

[(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 (PubChem CID 11376749) has the molecular formula C36H66O2Si2 and a molecular weight of 587.09 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID11376749
Molecular FormulaC36H66O2Si2
Molecular Weight587.09 g/mol
Exact Mass586.46
IUPAC Name[(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
SMILESC/C(=C\CC/C(=C/CC/C=C(/CC/C=C(\C)CC[C@@H]1OC1(C)C)C[Si](C)(C)C)C[Si](C)(C)C)CC[C@@H]1OC1(C)C
InChIInChI=1S/C36H66O2Si2/c1-29(23-25-33-35(3,4)37-33)17-15-21-31(27-39(7,8)9)19-13-14-20-32(28-40(10,11)12)22-16-18-30(2)24-26-34-36(5,6)38-34/h17-20,33-34H,13-16,21-28H2,1-12H3/b29-17+,30-18+,31-19-,32-20-/t33-,34-/m0/s1
InChIKeyCMAKZUWWBRDRCJ-RMZRUIKNSA-N
XLogP11.66
TPSA25.06 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.09
LogP ≤ 511.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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'}

Analyze [(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 with MolForge

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Related Compounds

(3S,22S)-2,3:22,23-diepoxy-2,3,22,23-tetrahydrosqualene
CID 92449689
2,3,22,23-Dioxidosqualene
CID 6440985
Squalene 2,3:22,23-Dioxide
CID 161689
Lycopene 1,2,1',2'-diepoxide
CID 15378100
(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
[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-triethoxysilane
CID 23162265
tert-butyl-dimethyl-[[2-methyl-3-[(E)-3-methylpent-3-enyl]oxiran-2-yl]methoxy]silane
CID 134857523
tert-butyl-[(2E,6E)-9-[(2S)-3,3-dimethyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoxy]-dimethylsilane
CID 135074337
[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

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is C/C(=C\CC/C(=C/CC/C=C(/CC/C=C(\C)CC[C@@H]1OC1(C)C)C[Si](C)(C)C)C[Si](C)(C)C)CC[C@@H]1OC1(C)C.
What is the InChIKey of [(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?
The InChIKey is CMAKZUWWBRDRCJ-RMZRUIKNSA-N. The full InChI is InChI=1S/C36H66O2Si2/c1-29(23-25-33-35(3,4)37-33)17-15-21-31(27-39(7,8)9)19-13-14-20-32(28-40(10,11)12)22-16-18-30(2)24-26-34-36(5,6)38-34/h17-20,33-34H,13-16,21-28H2,1-12H3/b29-17+,30-18+,31-19-,32-20-/t33-,34-/m0/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 587.09 g/mol, XLogP of 11.66, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 11376749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).