tert-butyl-[(2E)-3,7-dimethylundeca-2,6-dien-10-ynoxy]-dimethylsilane

C19H34OSi — CID 134866067

IUPACtert-butyl-[(2E)-3,7-dimethylundeca-2,6-dien-10-ynoxy]-dimethylsilane
SMILESC#CCCC(C)=CCC/C(C)=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34OSi/c1-9-10-12-17(2)13-11-14-18(3)15-16-20-21(7,8)19(4,5)6/h1,13,15H,10-12,14,16H2,2-8H3/b17-13?,18-15+
InChIKeyWOVGRLKNSOAGRA-NEHISVEVSA-N
MW306.57 g/mol
LogP6.09
Rot. Bonds8

About tert-butyl-[(2E)-3,7-dimethylundeca-2,6-dien-10-ynoxy]-dimethylsilane

tert-butyl-[(2E)-3,7-dimethylundeca-2,6-dien-10-ynoxy]-dimethylsilane (PubChem CID 134866067) has the molecular formula C19H34OSi and a molecular weight of 306.57 g/mol. Its IUPAC name is tert-butyl-[(2E)-3,7-dimethylundeca-2,6-dien-10-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(2E)-3,7-dimethylundeca-2,6-dien-10-ynoxy]-dimethylsilane
PubChem CID134866067
Molecular FormulaC19H34OSi
Molecular Weight306.57 g/mol
Exact Mass306.24
IUPAC Nametert-butyl-[(2E)-3,7-dimethylundeca-2,6-dien-10-ynoxy]-dimethylsilane
SMILESC#CCCC(C)=CCC/C(C)=C/CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H34OSi/c1-9-10-12-17(2)13-11-14-18(3)15-16-20-21(7,8)19(4,5)6/h1,13,15H,10-12,14,16H2,2-8H3/b17-13?,18-15+
InChIKeyWOVGRLKNSOAGRA-NEHISVEVSA-N
XLogP6.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.57
LogP ≤ 56.09
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

Geraniol, tert-butyldimethylsilyl ether
CID 6536899
Farnesol, tert-butyldimethylsilyl ether
CID 10337114
Silane, dimethyldi(trans-3,7-dimethyl-2,6-octadien-1-yloxy)-
CID 19045075
trans, trans-Farnesol, trimethylsilyl ether
CID 5365996
Nerol, tert-butyldimethylsilyl ether
CID 5366885
Geranylgeraniol, TBDMS derivative
CID 11112251
bis([(2Z)-3,7-Dimethylocta-2,6-dien-1-yl]oxy)(dimethyl)silane
CID 91697237
tert-butyl-[(E)-hexadec-4-en-6,10-diynoxy]-dimethylsilane
CID 11359968
tert-butyl-dimethyl-[(E)-3-methyl-8-trimethylsilyloct-3-en-7-ynoxy]silane
CID 11438740
[(2E)-3,7-dimethylocta-2,6-dienoxy]-tri(propan-2-yl)silane
CID 11472396
Tert-butyl-dimethyl-(2-methyloct-2-en-7-yn-4-yloxy)silane
CID 13789160
tert-butyl-[(E,4R,5R)-3,5-dimethyloct-2-en-6-yn-4-yl]oxy-dimethylsilane
CID 16125838

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2E)-3,7-dimethylundeca-2,6-dien-10-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(2E)-3,7-dimethylundeca-2,6-dien-10-ynoxy]-dimethylsilane (CID 134866067) is tert-butyl-[(2E)-3,7-dimethylundeca-2,6-dien-10-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(2E)-3,7-dimethylundeca-2,6-dien-10-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(2E)-3,7-dimethylundeca-2,6-dien-10-ynoxy]-dimethylsilane is C#CCCC(C)=CCC/C(C)=C/CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2E)-3,7-dimethylundeca-2,6-dien-10-ynoxy]-dimethylsilane?
The InChIKey is WOVGRLKNSOAGRA-NEHISVEVSA-N. The full InChI is InChI=1S/C19H34OSi/c1-9-10-12-17(2)13-11-14-18(3)15-16-20-21(7,8)19(4,5)6/h1,13,15H,10-12,14,16H2,2-8H3/b17-13?,18-15+.
What are the key properties of tert-butyl-[(2E)-3,7-dimethylundeca-2,6-dien-10-ynoxy]-dimethylsilane?
tert-butyl-[(2E)-3,7-dimethylundeca-2,6-dien-10-ynoxy]-dimethylsilane has a molecular weight of 306.57 g/mol, XLogP of 6.09, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2E)-3,7-dimethylundeca-2,6-dien-10-ynoxy]-dimethylsilane is sourced from PubChem (CID 134866067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).