1,1-diethynyl-3,4-dimethyl-2,5-dihydrosilole

C10H12Si — CID 10797051

IUPAC1,1-diethynyl-3,4-dimethyl-2,5-dihydrosilole
SMILESC#C[Si]1(C#C)CC(C)=C(C)C1
InChIInChI=1S/C10H12Si/c1-5-11(6-2)7-9(3)10(4)8-11/h1-2H,7-8H2,3-4H3
InChIKeyQOMBPWTVINYRNA-UHFFFAOYSA-N
MW160.29 g/mol
LogP2.13
Rot. Bonds

About 1,1-diethynyl-3,4-dimethyl-2,5-dihydrosilole

1,1-diethynyl-3,4-dimethyl-2,5-dihydrosilole (PubChem CID 10797051) has the molecular formula C10H12Si and a molecular weight of 160.29 g/mol. Its IUPAC name is 1,1-diethynyl-3,4-dimethyl-2,5-dihydrosilole.

Molecular Properties

Compound Name1,1-diethynyl-3,4-dimethyl-2,5-dihydrosilole
PubChem CID10797051
Molecular FormulaC10H12Si
Molecular Weight160.29 g/mol
Exact Mass160.07
IUPAC Name1,1-diethynyl-3,4-dimethyl-2,5-dihydrosilole
SMILESC#C[Si]1(C#C)CC(C)=C(C)C1
InChIInChI=1S/C10H12Si/c1-5-11(6-2)7-9(3)10(4)8-11/h1-2H,7-8H2,3-4H3
InChIKeyQOMBPWTVINYRNA-UHFFFAOYSA-N
XLogP2.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.29
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-diethynyl-3,4-dimethyl-2,5-dihydrosilole?
The IUPAC name of 1,1-diethynyl-3,4-dimethyl-2,5-dihydrosilole (CID 10797051) is 1,1-diethynyl-3,4-dimethyl-2,5-dihydrosilole.
What is the SMILES notation for 1,1-diethynyl-3,4-dimethyl-2,5-dihydrosilole?
The canonical SMILES for 1,1-diethynyl-3,4-dimethyl-2,5-dihydrosilole is C#C[Si]1(C#C)CC(C)=C(C)C1.
What is the InChIKey of 1,1-diethynyl-3,4-dimethyl-2,5-dihydrosilole?
The InChIKey is QOMBPWTVINYRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Si/c1-5-11(6-2)7-9(3)10(4)8-11/h1-2H,7-8H2,3-4H3.
What are the key properties of 1,1-diethynyl-3,4-dimethyl-2,5-dihydrosilole?
1,1-diethynyl-3,4-dimethyl-2,5-dihydrosilole has a molecular weight of 160.29 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethynyl-3,4-dimethyl-2,5-dihydrosilole is sourced from PubChem (CID 10797051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).