[(3E)-1-(3,3-dimethyloxiran-2-yl)-4,8-dimethylnona-3,7-dien-2-yl]-trimethylsilane

C18H34OSi — CID 5366406

IUPAC[(3E)-1-(3,3-dimethyloxiran-2-yl)-4,8-dimethylnona-3,7-dien-2-yl]-trimethylsilane
SMILESCC(C)=CCC/C(C)=C/C(CC1OC1(C)C)[Si](C)(C)C
InChIInChI=1S/C18H34OSi/c1-14(2)10-9-11-15(3)12-16(20(6,7)8)13-17-18(4,5)19-17/h10,12,16-17H,9,11,13H2,1-8H3/b15-12+
InChIKeySJSBQDODADXHHI-NTCAYCPXSA-N
MW294.56 g/mol
LogP5.95
Rot. Bonds7

About [(3E)-1-(3,3-dimethyloxiran-2-yl)-4,8-dimethylnona-3,7-dien-2-yl]-trimethylsilane

[(3E)-1-(3,3-dimethyloxiran-2-yl)-4,8-dimethylnona-3,7-dien-2-yl]-trimethylsilane (PubChem CID 5366406) has the molecular formula C18H34OSi and a molecular weight of 294.56 g/mol. Its IUPAC name is [(3E)-1-(3,3-dimethyloxiran-2-yl)-4,8-dimethylnona-3,7-dien-2-yl]-trimethylsilane.

Molecular Properties

Compound Name[(3E)-1-(3,3-dimethyloxiran-2-yl)-4,8-dimethylnona-3,7-dien-2-yl]-trimethylsilane
PubChem CID5366406
Molecular FormulaC18H34OSi
Molecular Weight294.56 g/mol
Exact Mass294.24
IUPAC Name[(3E)-1-(3,3-dimethyloxiran-2-yl)-4,8-dimethylnona-3,7-dien-2-yl]-trimethylsilane
SMILESCC(C)=CCC/C(C)=C/C(CC1OC1(C)C)[Si](C)(C)C
InChIInChI=1S/C18H34OSi/c1-14(2)10-9-11-15(3)12-16(20(6,7)8)13-17-18(4,5)19-17/h10,12,16-17H,9,11,13H2,1-8H3/b15-12+
InChIKeySJSBQDODADXHHI-NTCAYCPXSA-N
XLogP5.95
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.56
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

3-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-2,2-dimethyloxirane
CID 121232663
Tert-butyl-dimethyl-[[3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxy]silane
CID 10913076
(S,E)-1-(tert-butyldimethylsilyl)-7-(3,3-dimethyloxiran-2-yl)-5-methylhept-4-en-1-one
CID 11001417
tert-butyl-dimethyl-[[(2S,3S)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxy]silane
CID 11022441
(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
[(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
((6E)-2,6-Dimethyl-9-(2-vinyloxiran-2-yl)nona-2,6-dien-1-yl)trimethylsilane
CID 60147462
tert-butyl-dimethyl-[[(2S,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methoxy]silane
CID 100945698
[(2Z,6E)-9-(2-ethenyloxiran-2-yl)-2,6-dimethylnona-2,6-dienyl]-trimethylsilane
CID 102344035
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

Frequently Asked Questions

What is the IUPAC name of [(3E)-1-(3,3-dimethyloxiran-2-yl)-4,8-dimethylnona-3,7-dien-2-yl]-trimethylsilane?
The IUPAC name of [(3E)-1-(3,3-dimethyloxiran-2-yl)-4,8-dimethylnona-3,7-dien-2-yl]-trimethylsilane (CID 5366406) is [(3E)-1-(3,3-dimethyloxiran-2-yl)-4,8-dimethylnona-3,7-dien-2-yl]-trimethylsilane.
What is the SMILES notation for [(3E)-1-(3,3-dimethyloxiran-2-yl)-4,8-dimethylnona-3,7-dien-2-yl]-trimethylsilane?
The canonical SMILES for [(3E)-1-(3,3-dimethyloxiran-2-yl)-4,8-dimethylnona-3,7-dien-2-yl]-trimethylsilane is CC(C)=CCC/C(C)=C/C(CC1OC1(C)C)[Si](C)(C)C.
What is the InChIKey of [(3E)-1-(3,3-dimethyloxiran-2-yl)-4,8-dimethylnona-3,7-dien-2-yl]-trimethylsilane?
The InChIKey is SJSBQDODADXHHI-NTCAYCPXSA-N. The full InChI is InChI=1S/C18H34OSi/c1-14(2)10-9-11-15(3)12-16(20(6,7)8)13-17-18(4,5)19-17/h10,12,16-17H,9,11,13H2,1-8H3/b15-12+.
What are the key properties of [(3E)-1-(3,3-dimethyloxiran-2-yl)-4,8-dimethylnona-3,7-dien-2-yl]-trimethylsilane?
[(3E)-1-(3,3-dimethyloxiran-2-yl)-4,8-dimethylnona-3,7-dien-2-yl]-trimethylsilane has a molecular weight of 294.56 g/mol, XLogP of 5.95, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-1-(3,3-dimethyloxiran-2-yl)-4,8-dimethylnona-3,7-dien-2-yl]-trimethylsilane is sourced from PubChem (CID 5366406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).