6,6-dimethylhepta-3,4-dien-1-ynyl(triethyl)silane

C15H26Si — CID 14006174

IUPAC6,6-dimethylhepta-3,4-dien-1-ynyl(triethyl)silane
SMILESCC[Si](C#CC=C=CC(C)(C)C)(CC)CC
InChIInChI=1S/C15H26Si/c1-7-16(8-2,9-3)14-12-10-11-13-15(4,5)6/h10,13H,7-9H2,1-6H3
InChIKeyURGCNMPHIGCXNO-UHFFFAOYSA-N
MW234.46 g/mol
LogP4.79
Rot. Bonds3

About 6,6-dimethylhepta-3,4-dien-1-ynyl(triethyl)silane

6,6-dimethylhepta-3,4-dien-1-ynyl(triethyl)silane (PubChem CID 14006174) has the molecular formula C15H26Si and a molecular weight of 234.46 g/mol. Its IUPAC name is 6,6-dimethylhepta-3,4-dien-1-ynyl(triethyl)silane.

Molecular Properties

Compound Name6,6-dimethylhepta-3,4-dien-1-ynyl(triethyl)silane
PubChem CID14006174
Molecular FormulaC15H26Si
Molecular Weight234.46 g/mol
Exact Mass234.18
IUPAC Name6,6-dimethylhepta-3,4-dien-1-ynyl(triethyl)silane
SMILESCC[Si](C#CC=C=CC(C)(C)C)(CC)CC
InChIInChI=1S/C15H26Si/c1-7-16(8-2,9-3)14-12-10-11-13-15(4,5)6/h10,13H,7-9H2,1-6H3
InChIKeyURGCNMPHIGCXNO-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.46
LogP ≤ 54.79
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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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethylhepta-3,4-dien-1-ynyl(triethyl)silane?
The IUPAC name of 6,6-dimethylhepta-3,4-dien-1-ynyl(triethyl)silane (CID 14006174) is 6,6-dimethylhepta-3,4-dien-1-ynyl(triethyl)silane.
What is the SMILES notation for 6,6-dimethylhepta-3,4-dien-1-ynyl(triethyl)silane?
The canonical SMILES for 6,6-dimethylhepta-3,4-dien-1-ynyl(triethyl)silane is CC[Si](C#CC=C=CC(C)(C)C)(CC)CC.
What is the InChIKey of 6,6-dimethylhepta-3,4-dien-1-ynyl(triethyl)silane?
The InChIKey is URGCNMPHIGCXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26Si/c1-7-16(8-2,9-3)14-12-10-11-13-15(4,5)6/h10,13H,7-9H2,1-6H3.
What are the key properties of 6,6-dimethylhepta-3,4-dien-1-ynyl(triethyl)silane?
6,6-dimethylhepta-3,4-dien-1-ynyl(triethyl)silane has a molecular weight of 234.46 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethylhepta-3,4-dien-1-ynyl(triethyl)silane is sourced from PubChem (CID 14006174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).