[(E)-9-(3,3-dimethyloxiran-2-yl)-7-methylnon-6-en-2-ynyl]-trimethylsilane

C17H30OSi — CID 10612662

IUPAC[(E)-9-(3,3-dimethyloxiran-2-yl)-7-methylnon-6-en-2-ynyl]-trimethylsilane
SMILESC/C(=C\CCC#CC[Si](C)(C)C)CCC1OC1(C)C
InChIInChI=1S/C17H30OSi/c1-15(12-13-16-17(2,3)18-16)11-9-7-8-10-14-19(4,5)6/h11,16H,7,9,12-14H2,1-6H3/b15-11+
InChIKeyJESOPANBDSUUSA-RVDMUPIBSA-N
MW278.51 g/mol
LogP5.01
Rot. Bonds6

About [(E)-9-(3,3-dimethyloxiran-2-yl)-7-methylnon-6-en-2-ynyl]-trimethylsilane

[(E)-9-(3,3-dimethyloxiran-2-yl)-7-methylnon-6-en-2-ynyl]-trimethylsilane (PubChem CID 10612662) has the molecular formula C17H30OSi and a molecular weight of 278.51 g/mol. Its IUPAC name is [(E)-9-(3,3-dimethyloxiran-2-yl)-7-methylnon-6-en-2-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-9-(3,3-dimethyloxiran-2-yl)-7-methylnon-6-en-2-ynyl]-trimethylsilane
PubChem CID10612662
Molecular FormulaC17H30OSi
Molecular Weight278.51 g/mol
Exact Mass278.21
IUPAC Name[(E)-9-(3,3-dimethyloxiran-2-yl)-7-methylnon-6-en-2-ynyl]-trimethylsilane
SMILESC/C(=C\CCC#CC[Si](C)(C)C)CCC1OC1(C)C
InChIInChI=1S/C17H30OSi/c1-15(12-13-16-17(2,3)18-16)11-9-7-8-10-14-19(4,5)6/h11,16H,7,9,12-14H2,1-6H3/b15-11+
InChIKeyJESOPANBDSUUSA-RVDMUPIBSA-N
XLogP5.01
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.51
LogP ≤ 55.01
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'}

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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
(3S)-2,2-dimethyl-3-(3-methyloct-3-en-7-ynyl)oxirane
CID 155933528
(3S)-2,2-dimethyl-3-[(E)-3-methyloct-3-en-7-ynyl]oxirane
CID 177545872
[(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

Frequently Asked Questions

What is the IUPAC name of [(E)-9-(3,3-dimethyloxiran-2-yl)-7-methylnon-6-en-2-ynyl]-trimethylsilane?
The IUPAC name of [(E)-9-(3,3-dimethyloxiran-2-yl)-7-methylnon-6-en-2-ynyl]-trimethylsilane (CID 10612662) is [(E)-9-(3,3-dimethyloxiran-2-yl)-7-methylnon-6-en-2-ynyl]-trimethylsilane.
What is the SMILES notation for [(E)-9-(3,3-dimethyloxiran-2-yl)-7-methylnon-6-en-2-ynyl]-trimethylsilane?
The canonical SMILES for [(E)-9-(3,3-dimethyloxiran-2-yl)-7-methylnon-6-en-2-ynyl]-trimethylsilane is C/C(=C\CCC#CC[Si](C)(C)C)CCC1OC1(C)C.
What is the InChIKey of [(E)-9-(3,3-dimethyloxiran-2-yl)-7-methylnon-6-en-2-ynyl]-trimethylsilane?
The InChIKey is JESOPANBDSUUSA-RVDMUPIBSA-N. The full InChI is InChI=1S/C17H30OSi/c1-15(12-13-16-17(2,3)18-16)11-9-7-8-10-14-19(4,5)6/h11,16H,7,9,12-14H2,1-6H3/b15-11+.
What are the key properties of [(E)-9-(3,3-dimethyloxiran-2-yl)-7-methylnon-6-en-2-ynyl]-trimethylsilane?
[(E)-9-(3,3-dimethyloxiran-2-yl)-7-methylnon-6-en-2-ynyl]-trimethylsilane has a molecular weight of 278.51 g/mol, XLogP of 5.01, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-9-(3,3-dimethyloxiran-2-yl)-7-methylnon-6-en-2-ynyl]-trimethylsilane is sourced from PubChem (CID 10612662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).