diethyl-(2-ethynylcyclohexa-2,4-dien-1-ylidene)silane

C12H16Si — CID 173168011

IUPACdiethyl-(2-ethynylcyclohexa-2,4-dien-1-ylidene)silane
SMILESC#CC1=CC=CCC1=[Si](CC)CC
InChIInChI=1S/C12H16Si/c1-4-11-9-7-8-10-12(11)13(5-2)6-3/h1,7-9H,5-6,10H2,2-3H3
InChIKeyYJUPYWTWFPZNFK-UHFFFAOYSA-N
MW188.35 g/mol
LogP2.79
Rot. Bonds2

About diethyl-(2-ethynylcyclohexa-2,4-dien-1-ylidene)silane

diethyl-(2-ethynylcyclohexa-2,4-dien-1-ylidene)silane (PubChem CID 173168011) has the molecular formula C12H16Si and a molecular weight of 188.35 g/mol. Its IUPAC name is diethyl-(2-ethynylcyclohexa-2,4-dien-1-ylidene)silane.

Molecular Properties

Compound Namediethyl-(2-ethynylcyclohexa-2,4-dien-1-ylidene)silane
PubChem CID173168011
Molecular FormulaC12H16Si
Molecular Weight188.35 g/mol
Exact Mass188.10
IUPAC Namediethyl-(2-ethynylcyclohexa-2,4-dien-1-ylidene)silane
SMILESC#CC1=CC=CCC1=[Si](CC)CC
InChIInChI=1S/C12H16Si/c1-4-11-9-7-8-10-12(11)13(5-2)6-3/h1,7-9H,5-6,10H2,2-3H3
InChIKeyYJUPYWTWFPZNFK-UHFFFAOYSA-N
XLogP2.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.35
LogP ≤ 52.79
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 diethyl-(2-ethynylcyclohexa-2,4-dien-1-ylidene)silane?
The IUPAC name of diethyl-(2-ethynylcyclohexa-2,4-dien-1-ylidene)silane (CID 173168011) is diethyl-(2-ethynylcyclohexa-2,4-dien-1-ylidene)silane.
What is the SMILES notation for diethyl-(2-ethynylcyclohexa-2,4-dien-1-ylidene)silane?
The canonical SMILES for diethyl-(2-ethynylcyclohexa-2,4-dien-1-ylidene)silane is C#CC1=CC=CCC1=[Si](CC)CC.
What is the InChIKey of diethyl-(2-ethynylcyclohexa-2,4-dien-1-ylidene)silane?
The InChIKey is YJUPYWTWFPZNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Si/c1-4-11-9-7-8-10-12(11)13(5-2)6-3/h1,7-9H,5-6,10H2,2-3H3.
What are the key properties of diethyl-(2-ethynylcyclohexa-2,4-dien-1-ylidene)silane?
diethyl-(2-ethynylcyclohexa-2,4-dien-1-ylidene)silane has a molecular weight of 188.35 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(2-ethynylcyclohexa-2,4-dien-1-ylidene)silane is sourced from PubChem (CID 173168011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).