[(E)-7-(3,3-dimethyloxiran-2-yl)-6-methylhept-5-en-1-ynyl]-trimethylsilane

C15H26OSi — CID 138983337

IUPAC[(E)-7-(3,3-dimethyloxiran-2-yl)-6-methylhept-5-en-1-ynyl]-trimethylsilane
SMILESC/C(=C\CCC#C[Si](C)(C)C)CC1OC1(C)C
InChIInChI=1S/C15H26OSi/c1-13(12-14-15(2,3)16-14)10-8-7-9-11-17(4,5)6/h10,14H,7-8,12H2,1-6H3/b13-10+
InChIKeyICNNKKYYYASZNY-JLHYYAGUSA-N
MW250.46 g/mol
LogP4.16
Rot. Bonds4

About [(E)-7-(3,3-dimethyloxiran-2-yl)-6-methylhept-5-en-1-ynyl]-trimethylsilane

[(E)-7-(3,3-dimethyloxiran-2-yl)-6-methylhept-5-en-1-ynyl]-trimethylsilane (PubChem CID 138983337) has the molecular formula C15H26OSi and a molecular weight of 250.46 g/mol. Its IUPAC name is [(E)-7-(3,3-dimethyloxiran-2-yl)-6-methylhept-5-en-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-7-(3,3-dimethyloxiran-2-yl)-6-methylhept-5-en-1-ynyl]-trimethylsilane
PubChem CID138983337
Molecular FormulaC15H26OSi
Molecular Weight250.46 g/mol
Exact Mass250.18
IUPAC Name[(E)-7-(3,3-dimethyloxiran-2-yl)-6-methylhept-5-en-1-ynyl]-trimethylsilane
SMILESC/C(=C\CCC#C[Si](C)(C)C)CC1OC1(C)C
InChIInChI=1S/C15H26OSi/c1-13(12-14-15(2,3)16-14)10-8-7-9-11-17(4,5)6/h10,14H,7-8,12H2,1-6H3/b13-10+
InChIKeyICNNKKYYYASZNY-JLHYYAGUSA-N
XLogP4.16
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.46
LogP ≤ 54.16
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

2-[(2R,3S)-3-but-3-enyl-2-methyloxiran-2-yl]ethynyl-trimethylsilane
CID 12062493
[1-(3,3-Dimethyloxiran-2-ylmethyl)-3,7-dimethylocta-2,6-dienyl]trimethylsilane
CID 5366406
[(E)-9-(3,3-dimethyloxiran-2-yl)-7-methylnon-6-en-2-ynyl]-trimethylsilane
CID 10612662
[(3E,7E,11E,15E)-18-(3,3-dimethyloxiran-2-yl)-7,12,16-trimethyloctadeca-3,7,11,15-tetraen-1-ynyl]-trimethylsilane
CID 10862849
[(3Z,7E,11E,15E)-18-(3,3-dimethyloxiran-2-yl)-7,12,16-trimethyloctadeca-3,7,11,15-tetraen-1-ynyl]-trimethylsilane
CID 10884432
[(4E,8E,12E,16E)-19-(3,3-dimethyloxiran-2-yl)-8,13,17-trimethyl-4-(4-methylpent-3-enyl)nonadeca-4,8,12,16-tetraen-1-ynyl]-trimethylsilane
CID 10929433
[(6E,10E)-13-(3,3-dimethyloxiran-2-yl)-7,11-dimethyltrideca-6,10-dien-2-ynyl]-trimethylsilane
CID 11002515
[(4E,8E,12E,16E)-19-(3,3-dimethyloxiran-2-yl)-8,13,17-trimethyl-4-(3-methylbut-2-enyl)nonadeca-4,8,12,16-tetraen-1-ynyl]-trimethylsilane
CID 11049466
2-[(2S,3R)-3-but-3-enyl-2-methyloxiran-2-yl]ethynyl-trimethylsilane
CID 101261656

Frequently Asked Questions

What is the IUPAC name of [(E)-7-(3,3-dimethyloxiran-2-yl)-6-methylhept-5-en-1-ynyl]-trimethylsilane?
The IUPAC name of [(E)-7-(3,3-dimethyloxiran-2-yl)-6-methylhept-5-en-1-ynyl]-trimethylsilane (CID 138983337) is [(E)-7-(3,3-dimethyloxiran-2-yl)-6-methylhept-5-en-1-ynyl]-trimethylsilane.
What is the SMILES notation for [(E)-7-(3,3-dimethyloxiran-2-yl)-6-methylhept-5-en-1-ynyl]-trimethylsilane?
The canonical SMILES for [(E)-7-(3,3-dimethyloxiran-2-yl)-6-methylhept-5-en-1-ynyl]-trimethylsilane is C/C(=C\CCC#C[Si](C)(C)C)CC1OC1(C)C.
What is the InChIKey of [(E)-7-(3,3-dimethyloxiran-2-yl)-6-methylhept-5-en-1-ynyl]-trimethylsilane?
The InChIKey is ICNNKKYYYASZNY-JLHYYAGUSA-N. The full InChI is InChI=1S/C15H26OSi/c1-13(12-14-15(2,3)16-14)10-8-7-9-11-17(4,5)6/h10,14H,7-8,12H2,1-6H3/b13-10+.
What are the key properties of [(E)-7-(3,3-dimethyloxiran-2-yl)-6-methylhept-5-en-1-ynyl]-trimethylsilane?
[(E)-7-(3,3-dimethyloxiran-2-yl)-6-methylhept-5-en-1-ynyl]-trimethylsilane has a molecular weight of 250.46 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-7-(3,3-dimethyloxiran-2-yl)-6-methylhept-5-en-1-ynyl]-trimethylsilane is sourced from PubChem (CID 138983337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).