1,1-bis(but-3-ynyl)siletane

C11H16Si — CID 123846501

IUPAC1,1-bis(but-3-ynyl)siletane
SMILESC#CCC[Si]1(CCC#C)CCC1
InChIInChI=1S/C11H16Si/c1-3-5-8-12(9-6-4-2)10-7-11-12/h1-2H,5-11H2
InChIKeyTVEYHPUDPPESBS-UHFFFAOYSA-N
MW176.34 g/mol
LogP2.89
Rot. Bonds4

About 1,1-bis(but-3-ynyl)siletane

1,1-bis(but-3-ynyl)siletane (PubChem CID 123846501) has the molecular formula C11H16Si and a molecular weight of 176.34 g/mol. Its IUPAC name is 1,1-bis(but-3-ynyl)siletane.

Molecular Properties

Compound Name1,1-bis(but-3-ynyl)siletane
PubChem CID123846501
Molecular FormulaC11H16Si
Molecular Weight176.34 g/mol
Exact Mass176.10
IUPAC Name1,1-bis(but-3-ynyl)siletane
SMILESC#CCC[Si]1(CCC#C)CCC1
InChIInChI=1S/C11H16Si/c1-3-5-8-12(9-6-4-2)10-7-11-12/h1-2H,5-11H2
InChIKeyTVEYHPUDPPESBS-UHFFFAOYSA-N
XLogP2.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.34
LogP ≤ 52.89
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 1,1-bis(but-3-ynyl)siletane?
The IUPAC name of 1,1-bis(but-3-ynyl)siletane (CID 123846501) is 1,1-bis(but-3-ynyl)siletane.
What is the SMILES notation for 1,1-bis(but-3-ynyl)siletane?
The canonical SMILES for 1,1-bis(but-3-ynyl)siletane is C#CCC[Si]1(CCC#C)CCC1.
What is the InChIKey of 1,1-bis(but-3-ynyl)siletane?
The InChIKey is TVEYHPUDPPESBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16Si/c1-3-5-8-12(9-6-4-2)10-7-11-12/h1-2H,5-11H2.
What are the key properties of 1,1-bis(but-3-ynyl)siletane?
1,1-bis(but-3-ynyl)siletane has a molecular weight of 176.34 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(but-3-ynyl)siletane is sourced from PubChem (CID 123846501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).