2-(6,6-dimethyl-2,3-dihydropyran-5-yl)ethynyl-trimethylsilane

C12H20OSi — CID 46186078

IUPAC2-(6,6-dimethyl-2,3-dihydropyran-5-yl)ethynyl-trimethylsilane
SMILESCC1(C)OCCC=C1C#C[Si](C)(C)C
InChIInChI=1S/C12H20OSi/c1-12(2)11(7-6-9-13-12)8-10-14(3,4)5/h7H,6,9H2,1-5H3
InChIKeyREMAYFFKRJMMPU-UHFFFAOYSA-N
MW208.38 g/mol
LogP2.99
Rot. Bonds

About 2-(6,6-dimethyl-2,3-dihydropyran-5-yl)ethynyl-trimethylsilane

2-(6,6-dimethyl-2,3-dihydropyran-5-yl)ethynyl-trimethylsilane (PubChem CID 46186078) has the molecular formula C12H20OSi and a molecular weight of 208.38 g/mol. Its IUPAC name is 2-(6,6-dimethyl-2,3-dihydropyran-5-yl)ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-(6,6-dimethyl-2,3-dihydropyran-5-yl)ethynyl-trimethylsilane
PubChem CID46186078
Molecular FormulaC12H20OSi
Molecular Weight208.38 g/mol
Exact Mass208.13
IUPAC Name2-(6,6-dimethyl-2,3-dihydropyran-5-yl)ethynyl-trimethylsilane
SMILESCC1(C)OCCC=C1C#C[Si](C)(C)C
InChIInChI=1S/C12H20OSi/c1-12(2)11(7-6-9-13-12)8-10-14(3,4)5/h7H,6,9H2,1-5H3
InChIKeyREMAYFFKRJMMPU-UHFFFAOYSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.38
LogP ≤ 52.99
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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Related Compounds

2-(3,6-dihydro-2H-pyran-4-yl)ethynyl-trimethylsilane
CID 68606666
2-(6-Butyl-6-methyl-2,3-dihydropyran-5-yl)ethynyl-trimethylsilane
CID 46186075
5-Hex-1-ynyl-6,6-dimethyl-2,3-dihydropyran
CID 46186079

Frequently Asked Questions

What is the IUPAC name of 2-(6,6-dimethyl-2,3-dihydropyran-5-yl)ethynyl-trimethylsilane?
The IUPAC name of 2-(6,6-dimethyl-2,3-dihydropyran-5-yl)ethynyl-trimethylsilane (CID 46186078) is 2-(6,6-dimethyl-2,3-dihydropyran-5-yl)ethynyl-trimethylsilane.
What is the SMILES notation for 2-(6,6-dimethyl-2,3-dihydropyran-5-yl)ethynyl-trimethylsilane?
The canonical SMILES for 2-(6,6-dimethyl-2,3-dihydropyran-5-yl)ethynyl-trimethylsilane is CC1(C)OCCC=C1C#C[Si](C)(C)C.
What is the InChIKey of 2-(6,6-dimethyl-2,3-dihydropyran-5-yl)ethynyl-trimethylsilane?
The InChIKey is REMAYFFKRJMMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20OSi/c1-12(2)11(7-6-9-13-12)8-10-14(3,4)5/h7H,6,9H2,1-5H3.
What are the key properties of 2-(6,6-dimethyl-2,3-dihydropyran-5-yl)ethynyl-trimethylsilane?
2-(6,6-dimethyl-2,3-dihydropyran-5-yl)ethynyl-trimethylsilane has a molecular weight of 208.38 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,6-dimethyl-2,3-dihydropyran-5-yl)ethynyl-trimethylsilane is sourced from PubChem (CID 46186078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).