triethyl-[5-(3-methylbut-1-ynyl)nona-1,8-dien-5-yloxy]silane

C20H36OSi — CID 10734507

IUPACtriethyl-[5-(3-methylbut-1-ynyl)nona-1,8-dien-5-yloxy]silane
SMILESC=CCCC(C#CC(C)C)(CCC=C)O[Si](CC)(CC)CC
InChIInChI=1S/C20H36OSi/c1-8-13-16-20(17-14-9-2,18-15-19(6)7)21-22(10-3,11-4)12-5/h8-9,19H,1-2,10-14,16-17H2,3-7H3
InChIKeyFNQCXCNEXWFVCJ-UHFFFAOYSA-N
MW320.59 g/mol
LogP6.34
Rot. Bonds11

About triethyl-[5-(3-methylbut-1-ynyl)nona-1,8-dien-5-yloxy]silane

triethyl-[5-(3-methylbut-1-ynyl)nona-1,8-dien-5-yloxy]silane (PubChem CID 10734507) has the molecular formula C20H36OSi and a molecular weight of 320.59 g/mol. Its IUPAC name is triethyl-[5-(3-methylbut-1-ynyl)nona-1,8-dien-5-yloxy]silane.

Molecular Properties

Compound Nametriethyl-[5-(3-methylbut-1-ynyl)nona-1,8-dien-5-yloxy]silane
PubChem CID10734507
Molecular FormulaC20H36OSi
Molecular Weight320.59 g/mol
Exact Mass320.25
IUPAC Nametriethyl-[5-(3-methylbut-1-ynyl)nona-1,8-dien-5-yloxy]silane
SMILESC=CCCC(C#CC(C)C)(CCC=C)O[Si](CC)(CC)CC
InChIInChI=1S/C20H36OSi/c1-8-13-16-20(17-14-9-2,18-15-19(6)7)21-22(10-3,11-4)12-5/h8-9,19H,1-2,10-14,16-17H2,3-7H3
InChIKeyFNQCXCNEXWFVCJ-UHFFFAOYSA-N
XLogP6.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.59
LogP ≤ 56.34
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
Trimethyl-[2-methylidene-4-[2-tri(propan-2-yl)silyloxyethynyl]heptyl]silane
CID 11474488
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
[(5-Methyl-3-propylhex-5-en-1-yn-1-yl)oxy]tri(propan-2-yl)silane
CID 71403487
triethyl-[(9Z)-6-prop-1-ynyldodeca-1,9-dien-6-yl]oxysilane
CID 101673816
Tert-butyl-(7-cyclohexylhept-1-en-6-yn-3-yloxy)-dimethylsilane
CID 102331088
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

Frequently Asked Questions

What is the IUPAC name of triethyl-[5-(3-methylbut-1-ynyl)nona-1,8-dien-5-yloxy]silane?
The IUPAC name of triethyl-[5-(3-methylbut-1-ynyl)nona-1,8-dien-5-yloxy]silane (CID 10734507) is triethyl-[5-(3-methylbut-1-ynyl)nona-1,8-dien-5-yloxy]silane.
What is the SMILES notation for triethyl-[5-(3-methylbut-1-ynyl)nona-1,8-dien-5-yloxy]silane?
The canonical SMILES for triethyl-[5-(3-methylbut-1-ynyl)nona-1,8-dien-5-yloxy]silane is C=CCCC(C#CC(C)C)(CCC=C)O[Si](CC)(CC)CC.
What is the InChIKey of triethyl-[5-(3-methylbut-1-ynyl)nona-1,8-dien-5-yloxy]silane?
The InChIKey is FNQCXCNEXWFVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36OSi/c1-8-13-16-20(17-14-9-2,18-15-19(6)7)21-22(10-3,11-4)12-5/h8-9,19H,1-2,10-14,16-17H2,3-7H3.
What are the key properties of triethyl-[5-(3-methylbut-1-ynyl)nona-1,8-dien-5-yloxy]silane?
triethyl-[5-(3-methylbut-1-ynyl)nona-1,8-dien-5-yloxy]silane has a molecular weight of 320.59 g/mol, XLogP of 6.34, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[5-(3-methylbut-1-ynyl)nona-1,8-dien-5-yloxy]silane is sourced from PubChem (CID 10734507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).