trimethyl-[(5E)-octa-5,7-dien-1-ynyl]silane

C11H18Si — CID 101414432

IUPACtrimethyl-[(5E)-octa-5,7-dien-1-ynyl]silane
SMILESC=C/C=C/CCC#C[Si](C)(C)C
InChIInChI=1S/C11H18Si/c1-5-6-7-8-9-10-11-12(2,3)4/h5-7H,1,8-9H2,2-4H3/b7-6+
InChIKeyIZWXXXFBRUTVQO-VOTSOKGWSA-N
MW178.35 g/mol
LogP3.39
Rot. Bonds3

About trimethyl-[(5E)-octa-5,7-dien-1-ynyl]silane

trimethyl-[(5E)-octa-5,7-dien-1-ynyl]silane (PubChem CID 101414432) has the molecular formula C11H18Si and a molecular weight of 178.35 g/mol. Its IUPAC name is trimethyl-[(5E)-octa-5,7-dien-1-ynyl]silane.

Molecular Properties

Compound Nametrimethyl-[(5E)-octa-5,7-dien-1-ynyl]silane
PubChem CID101414432
Molecular FormulaC11H18Si
Molecular Weight178.35 g/mol
Exact Mass178.12
IUPAC Nametrimethyl-[(5E)-octa-5,7-dien-1-ynyl]silane
SMILESC=C/C=C/CCC#C[Si](C)(C)C
InChIInChI=1S/C11H18Si/c1-5-6-7-8-9-10-11-12(2,3)4/h5-7H,1,8-9H2,2-4H3/b7-6+
InChIKeyIZWXXXFBRUTVQO-VOTSOKGWSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.35
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(5E)-octa-5,7-dien-1-ynyl]silane?
The IUPAC name of trimethyl-[(5E)-octa-5,7-dien-1-ynyl]silane (CID 101414432) is trimethyl-[(5E)-octa-5,7-dien-1-ynyl]silane.
What is the SMILES notation for trimethyl-[(5E)-octa-5,7-dien-1-ynyl]silane?
The canonical SMILES for trimethyl-[(5E)-octa-5,7-dien-1-ynyl]silane is C=C/C=C/CCC#C[Si](C)(C)C.
What is the InChIKey of trimethyl-[(5E)-octa-5,7-dien-1-ynyl]silane?
The InChIKey is IZWXXXFBRUTVQO-VOTSOKGWSA-N. The full InChI is InChI=1S/C11H18Si/c1-5-6-7-8-9-10-11-12(2,3)4/h5-7H,1,8-9H2,2-4H3/b7-6+.
What are the key properties of trimethyl-[(5E)-octa-5,7-dien-1-ynyl]silane?
trimethyl-[(5E)-octa-5,7-dien-1-ynyl]silane has a molecular weight of 178.35 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(5E)-octa-5,7-dien-1-ynyl]silane is sourced from PubChem (CID 101414432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).