trimethyl-[3-propan-2-ylidene-4-(2-trimethylsilylethynyl)hex-4-en-1-ynyl]silane

C17H28Si2 — CID 154721469

IUPACtrimethyl-[3-propan-2-ylidene-4-(2-trimethylsilylethynyl)hex-4-en-1-ynyl]silane
SMILESCC=C(C#C[Si](C)(C)C)C(C#C[Si](C)(C)C)=C(C)C
InChIInChI=1S/C17H28Si2/c1-10-16(11-13-18(4,5)6)17(15(2)3)12-14-19(7,8)9/h10H,1-9H3
InChIKeyUNWXUZWXNLEPER-UHFFFAOYSA-N
MW288.58 g/mol
LogP5.03
Rot. Bonds1

About trimethyl-[3-propan-2-ylidene-4-(2-trimethylsilylethynyl)hex-4-en-1-ynyl]silane

trimethyl-[3-propan-2-ylidene-4-(2-trimethylsilylethynyl)hex-4-en-1-ynyl]silane (PubChem CID 154721469) has the molecular formula C17H28Si2 and a molecular weight of 288.58 g/mol. Its IUPAC name is trimethyl-[3-propan-2-ylidene-4-(2-trimethylsilylethynyl)hex-4-en-1-ynyl]silane.

Molecular Properties

Compound Nametrimethyl-[3-propan-2-ylidene-4-(2-trimethylsilylethynyl)hex-4-en-1-ynyl]silane
PubChem CID154721469
Molecular FormulaC17H28Si2
Molecular Weight288.58 g/mol
Exact Mass288.17
IUPAC Nametrimethyl-[3-propan-2-ylidene-4-(2-trimethylsilylethynyl)hex-4-en-1-ynyl]silane
SMILESCC=C(C#C[Si](C)(C)C)C(C#C[Si](C)(C)C)=C(C)C
InChIInChI=1S/C17H28Si2/c1-10-16(11-13-18(4,5)6)17(15(2)3)12-14-19(7,8)9/h10H,1-9H3
InChIKeyUNWXUZWXNLEPER-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.58
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[3-propan-2-ylidene-4-(2-trimethylsilylethynyl)hex-4-en-1-ynyl]silane?
The IUPAC name of trimethyl-[3-propan-2-ylidene-4-(2-trimethylsilylethynyl)hex-4-en-1-ynyl]silane (CID 154721469) is trimethyl-[3-propan-2-ylidene-4-(2-trimethylsilylethynyl)hex-4-en-1-ynyl]silane.
What is the SMILES notation for trimethyl-[3-propan-2-ylidene-4-(2-trimethylsilylethynyl)hex-4-en-1-ynyl]silane?
The canonical SMILES for trimethyl-[3-propan-2-ylidene-4-(2-trimethylsilylethynyl)hex-4-en-1-ynyl]silane is CC=C(C#C[Si](C)(C)C)C(C#C[Si](C)(C)C)=C(C)C.
What is the InChIKey of trimethyl-[3-propan-2-ylidene-4-(2-trimethylsilylethynyl)hex-4-en-1-ynyl]silane?
The InChIKey is UNWXUZWXNLEPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28Si2/c1-10-16(11-13-18(4,5)6)17(15(2)3)12-14-19(7,8)9/h10H,1-9H3.
What are the key properties of trimethyl-[3-propan-2-ylidene-4-(2-trimethylsilylethynyl)hex-4-en-1-ynyl]silane?
trimethyl-[3-propan-2-ylidene-4-(2-trimethylsilylethynyl)hex-4-en-1-ynyl]silane has a molecular weight of 288.58 g/mol, XLogP of 5.03, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[3-propan-2-ylidene-4-(2-trimethylsilylethynyl)hex-4-en-1-ynyl]silane is sourced from PubChem (CID 154721469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).