7-triethylsilylhepta-2,4,6-triynyl acetate

C15H20O2Si — CID 16720380

IUPAC7-triethylsilylhepta-2,4,6-triynyl acetate
SMILESCC[Si](C#CC#CC#CCOC(C)=O)(CC)CC
InChIInChI=1S/C15H20O2Si/c1-5-18(6-2,7-3)14-12-10-8-9-11-13-17-15(4)16/h5-7,13H2,1-4H3
InChIKeyOWQNORYQFCRQIH-UHFFFAOYSA-N
MW260.41 g/mol
LogP2.61
Rot. Bonds4

About 7-triethylsilylhepta-2,4,6-triynyl acetate

7-triethylsilylhepta-2,4,6-triynyl acetate (PubChem CID 16720380) has the molecular formula C15H20O2Si and a molecular weight of 260.41 g/mol. Its IUPAC name is 7-triethylsilylhepta-2,4,6-triynyl acetate.

Molecular Properties

Compound Name7-triethylsilylhepta-2,4,6-triynyl acetate
PubChem CID16720380
Molecular FormulaC15H20O2Si
Molecular Weight260.41 g/mol
Exact Mass260.12
IUPAC Name7-triethylsilylhepta-2,4,6-triynyl acetate
SMILESCC[Si](C#CC#CC#CCOC(C)=O)(CC)CC
InChIInChI=1S/C15H20O2Si/c1-5-18(6-2,7-3)14-12-10-8-9-11-13-17-15(4)16/h5-7,13H2,1-4H3
InChIKeyOWQNORYQFCRQIH-UHFFFAOYSA-N
XLogP2.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 7-triethylsilylhepta-2,4,6-triynyl acetate?
The IUPAC name of 7-triethylsilylhepta-2,4,6-triynyl acetate (CID 16720380) is 7-triethylsilylhepta-2,4,6-triynyl acetate.
What is the SMILES notation for 7-triethylsilylhepta-2,4,6-triynyl acetate?
The canonical SMILES for 7-triethylsilylhepta-2,4,6-triynyl acetate is CC[Si](C#CC#CC#CCOC(C)=O)(CC)CC.
What is the InChIKey of 7-triethylsilylhepta-2,4,6-triynyl acetate?
The InChIKey is OWQNORYQFCRQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2Si/c1-5-18(6-2,7-3)14-12-10-8-9-11-13-17-15(4)16/h5-7,13H2,1-4H3.
What are the key properties of 7-triethylsilylhepta-2,4,6-triynyl acetate?
7-triethylsilylhepta-2,4,6-triynyl acetate has a molecular weight of 260.41 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-triethylsilylhepta-2,4,6-triynyl acetate is sourced from PubChem (CID 16720380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).