(2,6-diethynylcyclohexa-2,4-dien-1-ylidene)-methylsilane

C11H10Si — CID 173167890

IUPAC(2,6-diethynylcyclohexa-2,4-dien-1-ylidene)-methylsilane
SMILESC#CC1=CC=CC(C#C)C1=[SiH]C
InChIInChI=1S/C11H10Si/c1-4-9-7-6-8-10(5-2)11(9)12-3/h1-2,6-9,12H,3H3
InChIKeyKVSZCJLFPNBBNH-UHFFFAOYSA-N
MW170.29 g/mol
LogP1.02
Rot. Bonds

About (2,6-diethynylcyclohexa-2,4-dien-1-ylidene)-methylsilane

(2,6-diethynylcyclohexa-2,4-dien-1-ylidene)-methylsilane (PubChem CID 173167890) has the molecular formula C11H10Si and a molecular weight of 170.29 g/mol. Its IUPAC name is (2,6-diethynylcyclohexa-2,4-dien-1-ylidene)-methylsilane.

Molecular Properties

Compound Name(2,6-diethynylcyclohexa-2,4-dien-1-ylidene)-methylsilane
PubChem CID173167890
Molecular FormulaC11H10Si
Molecular Weight170.29 g/mol
Exact Mass170.06
IUPAC Name(2,6-diethynylcyclohexa-2,4-dien-1-ylidene)-methylsilane
SMILESC#CC1=CC=CC(C#C)C1=[SiH]C
InChIInChI=1S/C11H10Si/c1-4-9-7-6-8-10(5-2)11(9)12-3/h1-2,6-9,12H,3H3
InChIKeyKVSZCJLFPNBBNH-UHFFFAOYSA-N
XLogP1.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.29
LogP ≤ 51.02
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'}

Analyze (2,6-diethynylcyclohexa-2,4-dien-1-ylidene)-methylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,6-diethynylcyclohexa-2,4-dien-1-ylidene)-methylsilane?
The IUPAC name of (2,6-diethynylcyclohexa-2,4-dien-1-ylidene)-methylsilane (CID 173167890) is (2,6-diethynylcyclohexa-2,4-dien-1-ylidene)-methylsilane.
What is the SMILES notation for (2,6-diethynylcyclohexa-2,4-dien-1-ylidene)-methylsilane?
The canonical SMILES for (2,6-diethynylcyclohexa-2,4-dien-1-ylidene)-methylsilane is C#CC1=CC=CC(C#C)C1=[SiH]C.
What is the InChIKey of (2,6-diethynylcyclohexa-2,4-dien-1-ylidene)-methylsilane?
The InChIKey is KVSZCJLFPNBBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Si/c1-4-9-7-6-8-10(5-2)11(9)12-3/h1-2,6-9,12H,3H3.
What are the key properties of (2,6-diethynylcyclohexa-2,4-dien-1-ylidene)-methylsilane?
(2,6-diethynylcyclohexa-2,4-dien-1-ylidene)-methylsilane has a molecular weight of 170.29 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-diethynylcyclohexa-2,4-dien-1-ylidene)-methylsilane is sourced from PubChem (CID 173167890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).