[(6E,10E)-13-(3,3-dimethyloxiran-2-yl)-7,11-dimethyltrideca-6,10-dien-2-ynyl]-trimethylsilane

C22H38OSi — CID 11002515

IUPAC[(6E,10E)-13-(3,3-dimethyloxiran-2-yl)-7,11-dimethyltrideca-6,10-dien-2-ynyl]-trimethylsilane
SMILESC/C(=C\CCC#CC[Si](C)(C)C)CC/C=C(\C)CCC1OC1(C)C
InChIInChI=1S/C22H38OSi/c1-19(13-10-8-9-11-18-24(5,6)7)14-12-15-20(2)16-17-21-22(3,4)23-21/h13,15,21H,8,10,12,14,16-18H2,1-7H3/b19-13+,20-15+
InChIKeyMGFFWIYOPVFBAW-YLYRKCBPSA-N
MW346.63 g/mol
LogP6.74
Rot. Bonds9

About [(6E,10E)-13-(3,3-dimethyloxiran-2-yl)-7,11-dimethyltrideca-6,10-dien-2-ynyl]-trimethylsilane

[(6E,10E)-13-(3,3-dimethyloxiran-2-yl)-7,11-dimethyltrideca-6,10-dien-2-ynyl]-trimethylsilane (PubChem CID 11002515) has the molecular formula C22H38OSi and a molecular weight of 346.63 g/mol. Its IUPAC name is [(6E,10E)-13-(3,3-dimethyloxiran-2-yl)-7,11-dimethyltrideca-6,10-dien-2-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(6E,10E)-13-(3,3-dimethyloxiran-2-yl)-7,11-dimethyltrideca-6,10-dien-2-ynyl]-trimethylsilane
PubChem CID11002515
Molecular FormulaC22H38OSi
Molecular Weight346.63 g/mol
Exact Mass346.27
IUPAC Name[(6E,10E)-13-(3,3-dimethyloxiran-2-yl)-7,11-dimethyltrideca-6,10-dien-2-ynyl]-trimethylsilane
SMILESC/C(=C\CCC#CC[Si](C)(C)C)CC/C=C(\C)CCC1OC1(C)C
InChIInChI=1S/C22H38OSi/c1-19(13-10-8-9-11-18-24(5,6)7)14-12-15-20(2)16-17-21-22(3,4)23-21/h13,15,21H,8,10,12,14,16-18H2,1-7H3/b19-13+,20-15+
InChIKeyMGFFWIYOPVFBAW-YLYRKCBPSA-N
XLogP6.74
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.63
LogP ≤ 56.74
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 [(6E,10E)-13-(3,3-dimethyloxiran-2-yl)-7,11-dimethyltrideca-6,10-dien-2-ynyl]-trimethylsilane with MolForge

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Launch Full Analysis

Related Compounds

(S)-2,3-Epoxysqualene
CID 5459811
2,3-Oxidosqualene
CID 5366020
2,2-Dimethyl-3-(3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaenyl)oxirane
CID 693
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
(3R)-2,2-dimethyl-3-[(3E,7E,11E,15Z)-3,7,12,16,20-pentamethylhenicosa-3,7,11,15,19-pentaenyl]oxirane
CID 11975379
[(E)-5-(3,3-dimethyloxiran-2-yl)-3-methylpent-2-enyl]-triethoxysilane
CID 23162265

Frequently Asked Questions

What is the IUPAC name of [(6E,10E)-13-(3,3-dimethyloxiran-2-yl)-7,11-dimethyltrideca-6,10-dien-2-ynyl]-trimethylsilane?
The IUPAC name of [(6E,10E)-13-(3,3-dimethyloxiran-2-yl)-7,11-dimethyltrideca-6,10-dien-2-ynyl]-trimethylsilane (CID 11002515) is [(6E,10E)-13-(3,3-dimethyloxiran-2-yl)-7,11-dimethyltrideca-6,10-dien-2-ynyl]-trimethylsilane.
What is the SMILES notation for [(6E,10E)-13-(3,3-dimethyloxiran-2-yl)-7,11-dimethyltrideca-6,10-dien-2-ynyl]-trimethylsilane?
The canonical SMILES for [(6E,10E)-13-(3,3-dimethyloxiran-2-yl)-7,11-dimethyltrideca-6,10-dien-2-ynyl]-trimethylsilane is C/C(=C\CCC#CC[Si](C)(C)C)CC/C=C(\C)CCC1OC1(C)C.
What is the InChIKey of [(6E,10E)-13-(3,3-dimethyloxiran-2-yl)-7,11-dimethyltrideca-6,10-dien-2-ynyl]-trimethylsilane?
The InChIKey is MGFFWIYOPVFBAW-YLYRKCBPSA-N. The full InChI is InChI=1S/C22H38OSi/c1-19(13-10-8-9-11-18-24(5,6)7)14-12-15-20(2)16-17-21-22(3,4)23-21/h13,15,21H,8,10,12,14,16-18H2,1-7H3/b19-13+,20-15+.
What are the key properties of [(6E,10E)-13-(3,3-dimethyloxiran-2-yl)-7,11-dimethyltrideca-6,10-dien-2-ynyl]-trimethylsilane?
[(6E,10E)-13-(3,3-dimethyloxiran-2-yl)-7,11-dimethyltrideca-6,10-dien-2-ynyl]-trimethylsilane has a molecular weight of 346.63 g/mol, XLogP of 6.74, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(6E,10E)-13-(3,3-dimethyloxiran-2-yl)-7,11-dimethyltrideca-6,10-dien-2-ynyl]-trimethylsilane is sourced from PubChem (CID 11002515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).