lithium;copper(1+);pent-1-yne;triethyl(4-methyloct-1-en-4-yloxy)silane

C20H38CuLiOSi — CID 134990695

IUPAClithium;copper(1+);pent-1-yne;triethyl(4-methyloct-1-en-4-yloxy)silane
SMILES[C-]#CCCC.[Cu+].[H]/[C-]=C\CC(C)(CCCC)O[Si](CC)(CC)CC.[Li+]
InChIInChI=1S/C15H31OSi.C5H7.Cu.Li/c1-7-12-14-15(6,13-8-2)16-17(9-3,10-4)11-5;1-3-5-4-2;;/h2,8H,7,9-14H2,1,3-6H3;3,5H2,1H3;;/q2*-1;2*+1
InChIKeyTZCGAVIHOQAYHN-UHFFFAOYSA-N
MW393.10 g/mol
LogP3.71
Rot. Bonds11

About lithium;copper(1+);pent-1-yne;triethyl(4-methyloct-1-en-4-yloxy)silane

lithium;copper(1+);pent-1-yne;triethyl(4-methyloct-1-en-4-yloxy)silane (PubChem CID 134990695) has the molecular formula C20H38CuLiOSi and a molecular weight of 393.10 g/mol. Its IUPAC name is lithium;copper(1+);pent-1-yne;triethyl(4-methyloct-1-en-4-yloxy)silane.

Molecular Properties

Compound Namelithium;copper(1+);pent-1-yne;triethyl(4-methyloct-1-en-4-yloxy)silane
PubChem CID134990695
Molecular FormulaC20H38CuLiOSi
Molecular Weight393.10 g/mol
Exact Mass392.21
IUPAC Namelithium;copper(1+);pent-1-yne;triethyl(4-methyloct-1-en-4-yloxy)silane
SMILES[C-]#CCCC.[Cu+].[H]/[C-]=C\CC(C)(CCCC)O[Si](CC)(CC)CC.[Li+]
InChIInChI=1S/C15H31OSi.C5H7.Cu.Li/c1-7-12-14-15(6,13-8-2)16-17(9-3,10-4)11-5;1-3-5-4-2;;/h2,8H,7,9-14H2,1,3-6H3;3,5H2,1H3;;/q2*-1;2*+1
InChIKeyTZCGAVIHOQAYHN-UHFFFAOYSA-N
XLogP3.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.10
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

CID 170852898
CID 170852898
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
5-Ethynylnon-1-en-8-yn-5-yloxy-dimethyl-prop-2-enylsilane
CID 15247300
Tert-butyl-(5-ethynylnona-1,8-dien-5-yloxy)-dimethylsilane
CID 15247303
Triethyl(5-ethynylnona-1,8-dien-5-yloxy)silane
CID 10826488
triethyl-[(E)-4-methyl-1-tributylstannyloct-1-en-4-yl]oxysilane
CID 11146006
Tributyl((1E)-4-methyl-4-((trimethylsilyl)oxy)-1-octen-1-yl)stannane
CID 12893763
trimethyl-[(E,4S)-4-methyl-1-tributylstannyloct-1-en-4-yl]oxysilane
CID 12893764
trimethyl-[3-[(E)-3-tributylstannylprop-2-enyl]-3-trimethylsilyloxyhept-1-ynyl]silane
CID 20288794

Frequently Asked Questions

What is the IUPAC name of lithium;copper(1+);pent-1-yne;triethyl(4-methyloct-1-en-4-yloxy)silane?
The IUPAC name of lithium;copper(1+);pent-1-yne;triethyl(4-methyloct-1-en-4-yloxy)silane (CID 134990695) is lithium;copper(1+);pent-1-yne;triethyl(4-methyloct-1-en-4-yloxy)silane.
What is the SMILES notation for lithium;copper(1+);pent-1-yne;triethyl(4-methyloct-1-en-4-yloxy)silane?
The canonical SMILES for lithium;copper(1+);pent-1-yne;triethyl(4-methyloct-1-en-4-yloxy)silane is [C-]#CCCC.[Cu+].[H]/[C-]=C\CC(C)(CCCC)O[Si](CC)(CC)CC.[Li+].
What is the InChIKey of lithium;copper(1+);pent-1-yne;triethyl(4-methyloct-1-en-4-yloxy)silane?
The InChIKey is TZCGAVIHOQAYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31OSi.C5H7.Cu.Li/c1-7-12-14-15(6,13-8-2)16-17(9-3,10-4)11-5;1-3-5-4-2;;/h2,8H,7,9-14H2,1,3-6H3;3,5H2,1H3;;/q2*-1;2*+1.
What are the key properties of lithium;copper(1+);pent-1-yne;triethyl(4-methyloct-1-en-4-yloxy)silane?
lithium;copper(1+);pent-1-yne;triethyl(4-methyloct-1-en-4-yloxy)silane has a molecular weight of 393.10 g/mol, XLogP of 3.71, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;copper(1+);pent-1-yne;triethyl(4-methyloct-1-en-4-yloxy)silane is sourced from PubChem (CID 134990695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).