triethyl-(2-methyl-5-prop-1-ynyldeca-1,9-dien-5-yl)oxysilane

C20H36OSi — CID 11141761

IUPACtriethyl-(2-methyl-5-prop-1-ynyldeca-1,9-dien-5-yl)oxysilane
SMILESC=CCCCC(C#CC)(CCC(=C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C20H36OSi/c1-8-13-14-17-20(16-9-2,18-15-19(6)7)21-22(10-3,11-4)12-5/h8H,1,6,10-15,17-18H2,2-5,7H3
InChIKeyPGBAMCQKHDUJKN-UHFFFAOYSA-N
MW320.59 g/mol
LogP6.48
Rot. Bonds12

About triethyl-(2-methyl-5-prop-1-ynyldeca-1,9-dien-5-yl)oxysilane

triethyl-(2-methyl-5-prop-1-ynyldeca-1,9-dien-5-yl)oxysilane (PubChem CID 11141761) has the molecular formula C20H36OSi and a molecular weight of 320.59 g/mol. Its IUPAC name is triethyl-(2-methyl-5-prop-1-ynyldeca-1,9-dien-5-yl)oxysilane.

Molecular Properties

Compound Nametriethyl-(2-methyl-5-prop-1-ynyldeca-1,9-dien-5-yl)oxysilane
PubChem CID11141761
Molecular FormulaC20H36OSi
Molecular Weight320.59 g/mol
Exact Mass320.25
IUPAC Nametriethyl-(2-methyl-5-prop-1-ynyldeca-1,9-dien-5-yl)oxysilane
SMILESC=CCCCC(C#CC)(CCC(=C)C)O[Si](CC)(CC)CC
InChIInChI=1S/C20H36OSi/c1-8-13-14-17-20(16-9-2,18-15-19(6)7)21-22(10-3,11-4)12-5/h8H,1,6,10-15,17-18H2,2-5,7H3
InChIKeyPGBAMCQKHDUJKN-UHFFFAOYSA-N
XLogP6.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.59
LogP ≤ 56.48
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': '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
[3-Methyl-3-(2-methylprop-2-enyl)oct-7-en-1-ynoxy]-tri(propan-2-yl)silane
CID 11405343
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-[(6S)-5-ethynyl-6,10-dimethylundeca-1,9-dien-5-yl]oxysilane
CID 101571970
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
[(Z,7S)-7-but-3-enylhexadec-14-en-1,5,10-triyn-7-yl]oxy-tert-butyl-dimethylsilane
CID 176431397

Frequently Asked Questions

What is the IUPAC name of triethyl-(2-methyl-5-prop-1-ynyldeca-1,9-dien-5-yl)oxysilane?
The IUPAC name of triethyl-(2-methyl-5-prop-1-ynyldeca-1,9-dien-5-yl)oxysilane (CID 11141761) is triethyl-(2-methyl-5-prop-1-ynyldeca-1,9-dien-5-yl)oxysilane.
What is the SMILES notation for triethyl-(2-methyl-5-prop-1-ynyldeca-1,9-dien-5-yl)oxysilane?
The canonical SMILES for triethyl-(2-methyl-5-prop-1-ynyldeca-1,9-dien-5-yl)oxysilane is C=CCCCC(C#CC)(CCC(=C)C)O[Si](CC)(CC)CC.
What is the InChIKey of triethyl-(2-methyl-5-prop-1-ynyldeca-1,9-dien-5-yl)oxysilane?
The InChIKey is PGBAMCQKHDUJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36OSi/c1-8-13-14-17-20(16-9-2,18-15-19(6)7)21-22(10-3,11-4)12-5/h8H,1,6,10-15,17-18H2,2-5,7H3.
What are the key properties of triethyl-(2-methyl-5-prop-1-ynyldeca-1,9-dien-5-yl)oxysilane?
triethyl-(2-methyl-5-prop-1-ynyldeca-1,9-dien-5-yl)oxysilane has a molecular weight of 320.59 g/mol, XLogP of 6.48, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-(2-methyl-5-prop-1-ynyldeca-1,9-dien-5-yl)oxysilane is sourced from PubChem (CID 11141761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).