tert-butyl-(5-ethynylnona-1,8-dien-5-yloxy)-dimethylsilane

C17H30OSi — CID 15247303

IUPACtert-butyl-(5-ethynylnona-1,8-dien-5-yloxy)-dimethylsilane
SMILESC#CC(CCC=C)(CCC=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30OSi/c1-9-12-14-17(11-3,15-13-10-2)18-19(7,8)16(4,5)6/h3,9-10H,1-2,12-15H2,4-8H3
InChIKeyWLSPCBRBHUBGPT-UHFFFAOYSA-N
MW278.51 g/mol
LogP5.31
Rot. Bonds8

About tert-butyl-(5-ethynylnona-1,8-dien-5-yloxy)-dimethylsilane

tert-butyl-(5-ethynylnona-1,8-dien-5-yloxy)-dimethylsilane (PubChem CID 15247303) has the molecular formula C17H30OSi and a molecular weight of 278.51 g/mol. Its IUPAC name is tert-butyl-(5-ethynylnona-1,8-dien-5-yloxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(5-ethynylnona-1,8-dien-5-yloxy)-dimethylsilane
PubChem CID15247303
Molecular FormulaC17H30OSi
Molecular Weight278.51 g/mol
Exact Mass278.21
IUPAC Nametert-butyl-(5-ethynylnona-1,8-dien-5-yloxy)-dimethylsilane
SMILESC#CC(CCC=C)(CCC=C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H30OSi/c1-9-12-14-17(11-3,15-13-10-2)18-19(7,8)16(4,5)6/h3,9-10H,1-2,12-15H2,4-8H3
InChIKeyWLSPCBRBHUBGPT-UHFFFAOYSA-N
XLogP5.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.51
LogP ≤ 55.31
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-Ethynylnon-1-en-8-yn-5-yloxy(trimethyl)silane
CID 10988206
[(Z)-7-but-3-enylhexadec-14-en-1,5,10-triyn-7-yl]oxy-tert-butyl-dimethylsilane
CID 10786952
tri(propan-2-yl)-[(3S)-3-prop-2-enylhept-1-ynoxy]silane
CID 10968867
Triethyl(5-prop-1-ynyldeca-1,9-dien-5-yloxy)silane
CID 11748805
Triethyl(6-prop-1-ynylundeca-1,10-dien-6-yloxy)silane
CID 14936189
triethyl-[(9E)-5-prop-1-ynylundeca-1,9-dien-5-yl]oxysilane
CID 14936192
triethyl-[(9Z)-6-prop-1-ynyldodeca-1,9-dien-6-yl]oxysilane
CID 101673816
Tert-butyl-dimethyl-(3-methylnon-8-en-1-yn-3-yloxy)silane
CID 122395882
Lithium;copper(1+);pent-1-yne;triethyl(4-methyloct-1-en-4-yloxy)silane
CID 134990695
tert-butyl-[(5S,6R)-6-ethynyldec-9-en-1-yn-5-yl]oxy-dimethylsilane
CID 162406243
[(Z,7S)-7-but-3-enylhexadec-14-en-1,5,10-triyn-7-yl]oxy-tert-butyl-dimethylsilane
CID 176431397
5-Ethynylnon-1-en-8-yn-5-yloxy-dimethyl-prop-2-enylsilane
CID 15247300

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(5-ethynylnona-1,8-dien-5-yloxy)-dimethylsilane?
The IUPAC name of tert-butyl-(5-ethynylnona-1,8-dien-5-yloxy)-dimethylsilane (CID 15247303) is tert-butyl-(5-ethynylnona-1,8-dien-5-yloxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(5-ethynylnona-1,8-dien-5-yloxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(5-ethynylnona-1,8-dien-5-yloxy)-dimethylsilane is C#CC(CCC=C)(CCC=C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(5-ethynylnona-1,8-dien-5-yloxy)-dimethylsilane?
The InChIKey is WLSPCBRBHUBGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30OSi/c1-9-12-14-17(11-3,15-13-10-2)18-19(7,8)16(4,5)6/h3,9-10H,1-2,12-15H2,4-8H3.
What are the key properties of tert-butyl-(5-ethynylnona-1,8-dien-5-yloxy)-dimethylsilane?
tert-butyl-(5-ethynylnona-1,8-dien-5-yloxy)-dimethylsilane has a molecular weight of 278.51 g/mol, XLogP of 5.31, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(5-ethynylnona-1,8-dien-5-yloxy)-dimethylsilane is sourced from PubChem (CID 15247303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).