triethyl-[(E)-2,2,7,7-tetramethyloct-3-en-5-yn-3-yl]silane

C18H34Si — CID 134966781

IUPACtriethyl-[(E)-2,2,7,7-tetramethyloct-3-en-5-yn-3-yl]silane
SMILESCC[Si](CC)(CC)/C(=C/C#CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H34Si/c1-10-19(11-2,12-3)16(18(7,8)9)14-13-15-17(4,5)6/h14H,10-12H2,1-9H3/b16-14+
InChIKeyVELSXNNXYXRWEV-JQIJEIRASA-N
MW278.56 g/mol
LogP6.06
Rot. Bonds4

About triethyl-[(E)-2,2,7,7-tetramethyloct-3-en-5-yn-3-yl]silane

triethyl-[(E)-2,2,7,7-tetramethyloct-3-en-5-yn-3-yl]silane (PubChem CID 134966781) has the molecular formula C18H34Si and a molecular weight of 278.56 g/mol. Its IUPAC name is triethyl-[(E)-2,2,7,7-tetramethyloct-3-en-5-yn-3-yl]silane.

Molecular Properties

Compound Nametriethyl-[(E)-2,2,7,7-tetramethyloct-3-en-5-yn-3-yl]silane
PubChem CID134966781
Molecular FormulaC18H34Si
Molecular Weight278.56 g/mol
Exact Mass278.24
IUPAC Nametriethyl-[(E)-2,2,7,7-tetramethyloct-3-en-5-yn-3-yl]silane
SMILESCC[Si](CC)(CC)/C(=C/C#CC(C)(C)C)C(C)(C)C
InChIInChI=1S/C18H34Si/c1-10-19(11-2,12-3)16(18(7,8)9)14-13-15-17(4,5)6/h14H,10-12H2,1-9H3/b16-14+
InChIKeyVELSXNNXYXRWEV-JQIJEIRASA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.56
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Triethyl-[3-methyl-3-(2-triethylsilylethynyl)pent-4-en-1-ynyl]silane
CID 86059387
3,3-Bis(2-triethylsilylethynyl)pent-4-en-1-ynyl-triethylsilane
CID 102353043
trimethyl-[(3E,7E,11E)-2,2,13,13-tetramethyl-8-trimethylsilyltetradeca-3,7,11-trien-5,9-diyn-7-yl]silane
CID 102473890
[(E)-4,4-dimethyl-1-tributylstannylpent-2-en-2-yl]-trimethylsilane
CID 135001085
[(Z)-hept-4-en-1-ynyl]-tri(propan-2-yl)silane
CID 135080614
tri(propan-2-yl)-[(E)-3-propylhept-3-en-1-ynyl]silane
CID 102322011
Trimethyl-(6,10,14-trimethyl-pentadeca-5,9,13-trien-1-ynyl)-silane
CID 73095183
trimethyl-[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-ynyl]silane
CID 140512006
[(4Z,7Z,10Z,13Z)-3,3,6,6,9,9,12,12,15,15-decadeuteriohexadeca-4,7,10,13-tetraen-1-ynyl]-trimethylsilane
CID 156679715
trimethyl-[(4Z,7Z,10Z)-trideca-4,7,10-trien-1-ynyl]silane
CID 156679875
6-Methylhept-5-en-1-yne;trimethyl(6-methylhept-5-en-1-ynyl)silane
CID 157974438

Frequently Asked Questions

What is the IUPAC name of triethyl-[(E)-2,2,7,7-tetramethyloct-3-en-5-yn-3-yl]silane?
The IUPAC name of triethyl-[(E)-2,2,7,7-tetramethyloct-3-en-5-yn-3-yl]silane (CID 134966781) is triethyl-[(E)-2,2,7,7-tetramethyloct-3-en-5-yn-3-yl]silane.
What is the SMILES notation for triethyl-[(E)-2,2,7,7-tetramethyloct-3-en-5-yn-3-yl]silane?
The canonical SMILES for triethyl-[(E)-2,2,7,7-tetramethyloct-3-en-5-yn-3-yl]silane is CC[Si](CC)(CC)/C(=C/C#CC(C)(C)C)C(C)(C)C.
What is the InChIKey of triethyl-[(E)-2,2,7,7-tetramethyloct-3-en-5-yn-3-yl]silane?
The InChIKey is VELSXNNXYXRWEV-JQIJEIRASA-N. The full InChI is InChI=1S/C18H34Si/c1-10-19(11-2,12-3)16(18(7,8)9)14-13-15-17(4,5)6/h14H,10-12H2,1-9H3/b16-14+.
What are the key properties of triethyl-[(E)-2,2,7,7-tetramethyloct-3-en-5-yn-3-yl]silane?
triethyl-[(E)-2,2,7,7-tetramethyloct-3-en-5-yn-3-yl]silane has a molecular weight of 278.56 g/mol, XLogP of 6.06, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(E)-2,2,7,7-tetramethyloct-3-en-5-yn-3-yl]silane is sourced from PubChem (CID 134966781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).