trimethyl-[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-ynyl]silane

C21H36Si — CID 140512006

IUPACtrimethyl-[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-ynyl]silane
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CCC#C[Si](C)(C)C
InChIInChI=1S/C21H36Si/c1-19(2)13-11-15-21(4)17-12-16-20(3)14-9-8-10-18-22(5,6)7/h13-14,17H,8-9,11-12,15-16H2,1-7H3/b20-14+,21-17+
InChIKeyWWILOFJTMIMTGR-PQBPFAQHSA-N
MW316.61 g/mol
LogP7.07
Rot. Bonds8

About trimethyl-[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-ynyl]silane

trimethyl-[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-ynyl]silane (PubChem CID 140512006) has the molecular formula C21H36Si and a molecular weight of 316.61 g/mol. Its IUPAC name is trimethyl-[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-ynyl]silane.

Molecular Properties

Compound Nametrimethyl-[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-ynyl]silane
PubChem CID140512006
Molecular FormulaC21H36Si
Molecular Weight316.61 g/mol
Exact Mass316.26
IUPAC Nametrimethyl-[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-ynyl]silane
SMILESCC(C)=CCC/C(C)=C/CC/C(C)=C/CCC#C[Si](C)(C)C
InChIInChI=1S/C21H36Si/c1-19(2)13-11-15-21(4)17-12-16-20(3)14-9-8-10-18-22(5,6)7/h13-14,17H,8-9,11-12,15-16H2,1-7H3/b20-14+,21-17+
InChIKeyWWILOFJTMIMTGR-PQBPFAQHSA-N
XLogP7.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.61
LogP ≤ 57.07
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze trimethyl-[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-ynyl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-ynyl]silane?
The IUPAC name of trimethyl-[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-ynyl]silane (CID 140512006) is trimethyl-[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-ynyl]silane.
What is the SMILES notation for trimethyl-[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-ynyl]silane?
The canonical SMILES for trimethyl-[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-ynyl]silane is CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC#C[Si](C)(C)C.
What is the InChIKey of trimethyl-[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-ynyl]silane?
The InChIKey is WWILOFJTMIMTGR-PQBPFAQHSA-N. The full InChI is InChI=1S/C21H36Si/c1-19(2)13-11-15-21(4)17-12-16-20(3)14-9-8-10-18-22(5,6)7/h13-14,17H,8-9,11-12,15-16H2,1-7H3/b20-14+,21-17+.
What are the key properties of trimethyl-[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-ynyl]silane?
trimethyl-[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-ynyl]silane has a molecular weight of 316.61 g/mol, XLogP of 7.07, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(5E,9E)-6,10,14-trimethylpentadeca-5,9,13-trien-1-ynyl]silane is sourced from PubChem (CID 140512006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).