tert-butyl-(5,9-dimethyldec-8-en-2-ynoxy)-dimethylsilane

C18H34OSi — CID 154719685

IUPACtert-butyl-(5,9-dimethyldec-8-en-2-ynoxy)-dimethylsilane
SMILESCC(C)=CCCC(C)CC#CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34OSi/c1-16(2)12-11-14-17(3)13-9-10-15-19-20(7,8)18(4,5)6/h12,17H,11,13-15H2,1-8H3
InChIKeyIKVXLTJVOHBSPZ-UHFFFAOYSA-N
MW294.56 g/mol
LogP5.78
Rot. Bonds6

About tert-butyl-(5,9-dimethyldec-8-en-2-ynoxy)-dimethylsilane

tert-butyl-(5,9-dimethyldec-8-en-2-ynoxy)-dimethylsilane (PubChem CID 154719685) has the molecular formula C18H34OSi and a molecular weight of 294.56 g/mol. Its IUPAC name is tert-butyl-(5,9-dimethyldec-8-en-2-ynoxy)-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(5,9-dimethyldec-8-en-2-ynoxy)-dimethylsilane
PubChem CID154719685
Molecular FormulaC18H34OSi
Molecular Weight294.56 g/mol
Exact Mass294.24
IUPAC Nametert-butyl-(5,9-dimethyldec-8-en-2-ynoxy)-dimethylsilane
SMILESCC(C)=CCCC(C)CC#CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H34OSi/c1-16(2)12-11-14-17(3)13-9-10-15-19-20(7,8)18(4,5)6/h12,17H,11,13-15H2,1-8H3
InChIKeyIKVXLTJVOHBSPZ-UHFFFAOYSA-N
XLogP5.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.56
LogP ≤ 55.78
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

tert-butyl-dimethyl-[(2R,3R)-2,3,6-trimethylhept-5-enoxy]silane
CID 154722229
(S)-tert-butyl((3,7-dimethyloct-6-en-1-yl)oxy)dimethylsilane
CID 22882877
beta-Citronellol, TBDMS derivative
CID 11043851
(+/-)-Lavandulol, TBDMS derivative
CID 14845988
3,7-Dimethyloct-6-enoxy(triethyl)silane
CID 72751260
tert-butyl-[(E)-hexadec-4-en-6,10-diynoxy]-dimethylsilane
CID 11359968
Tert-butyl(dimethyl)silyl (3R)-3,7-dimethyl-6-octenyl ether
CID 14336178
tert-butyl-[(E,4R,5R)-3,5-dimethyloct-2-en-6-yn-4-yl]oxy-dimethylsilane
CID 16125838
[(5-Methyl-3-propylhex-5-en-1-yn-1-yl)oxy]tri(propan-2-yl)silane
CID 71403487
tert-butyl-dimethyl-[(Z,1R,2S)-2-methyl-1-[(2S)-pent-3-yn-2-yl]-4-trimethylsilylpent-3-enoxy]silane
CID 134836408
tert-butyl-dimethyl-[(Z)-tetradec-8-en-3-ynoxy]silane
CID 134841889
tert-butyl-[(3S)-3,11-dimethyldodec-10-en-6-ynoxy]-dimethylsilane
CID 134844349

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(5,9-dimethyldec-8-en-2-ynoxy)-dimethylsilane?
The IUPAC name of tert-butyl-(5,9-dimethyldec-8-en-2-ynoxy)-dimethylsilane (CID 154719685) is tert-butyl-(5,9-dimethyldec-8-en-2-ynoxy)-dimethylsilane.
What is the SMILES notation for tert-butyl-(5,9-dimethyldec-8-en-2-ynoxy)-dimethylsilane?
The canonical SMILES for tert-butyl-(5,9-dimethyldec-8-en-2-ynoxy)-dimethylsilane is CC(C)=CCCC(C)CC#CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(5,9-dimethyldec-8-en-2-ynoxy)-dimethylsilane?
The InChIKey is IKVXLTJVOHBSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34OSi/c1-16(2)12-11-14-17(3)13-9-10-15-19-20(7,8)18(4,5)6/h12,17H,11,13-15H2,1-8H3.
What are the key properties of tert-butyl-(5,9-dimethyldec-8-en-2-ynoxy)-dimethylsilane?
tert-butyl-(5,9-dimethyldec-8-en-2-ynoxy)-dimethylsilane has a molecular weight of 294.56 g/mol, XLogP of 5.78, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(5,9-dimethyldec-8-en-2-ynoxy)-dimethylsilane is sourced from PubChem (CID 154719685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).