2-(3,6-dihydro-2H-pyran-4-yl)ethynyl-trimethylsilane

C10H16OSi — CID 68606666

IUPAC2-(3,6-dihydro-2H-pyran-4-yl)ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#CC1=CCOCC1
InChIInChI=1S/C10H16OSi/c1-12(2,3)9-6-10-4-7-11-8-5-10/h4H,5,7-8H2,1-3H3
InChIKeyCEELAXCJRNEJCT-UHFFFAOYSA-N
MW180.32 g/mol
LogP2.21
Rot. Bonds

About 2-(3,6-dihydro-2H-pyran-4-yl)ethynyl-trimethylsilane

2-(3,6-dihydro-2H-pyran-4-yl)ethynyl-trimethylsilane (PubChem CID 68606666) has the molecular formula C10H16OSi and a molecular weight of 180.32 g/mol. Its IUPAC name is 2-(3,6-dihydro-2H-pyran-4-yl)ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-(3,6-dihydro-2H-pyran-4-yl)ethynyl-trimethylsilane
PubChem CID68606666
Molecular FormulaC10H16OSi
Molecular Weight180.32 g/mol
Exact Mass180.10
IUPAC Name2-(3,6-dihydro-2H-pyran-4-yl)ethynyl-trimethylsilane
SMILESC[Si](C)(C)C#CC1=CCOCC1
InChIInChI=1S/C10H16OSi/c1-12(2,3)9-6-10-4-7-11-8-5-10/h4H,5,7-8H2,1-3H3
InChIKeyCEELAXCJRNEJCT-UHFFFAOYSA-N
XLogP2.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.32
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-(3,6-dihydro-2H-pyran-4-yl)ethynyl-trimethylsilane?
The IUPAC name of 2-(3,6-dihydro-2H-pyran-4-yl)ethynyl-trimethylsilane (CID 68606666) is 2-(3,6-dihydro-2H-pyran-4-yl)ethynyl-trimethylsilane.
What is the SMILES notation for 2-(3,6-dihydro-2H-pyran-4-yl)ethynyl-trimethylsilane?
The canonical SMILES for 2-(3,6-dihydro-2H-pyran-4-yl)ethynyl-trimethylsilane is C[Si](C)(C)C#CC1=CCOCC1.
What is the InChIKey of 2-(3,6-dihydro-2H-pyran-4-yl)ethynyl-trimethylsilane?
The InChIKey is CEELAXCJRNEJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16OSi/c1-12(2,3)9-6-10-4-7-11-8-5-10/h4H,5,7-8H2,1-3H3.
What are the key properties of 2-(3,6-dihydro-2H-pyran-4-yl)ethynyl-trimethylsilane?
2-(3,6-dihydro-2H-pyran-4-yl)ethynyl-trimethylsilane has a molecular weight of 180.32 g/mol, XLogP of 2.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dihydro-2H-pyran-4-yl)ethynyl-trimethylsilane is sourced from PubChem (CID 68606666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).