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

C12H10Si — CID 173167892

IUPAC(2,6-diethynylcyclohexa-2,4-dien-1-ylidene)-ethenylsilane
SMILESC#CC1=CC=CC(C#C)C1=[SiH]C=C
InChIInChI=1S/C12H10Si/c1-4-10-8-7-9-11(5-2)12(10)13-6-3/h1-2,6-10,13H,3H2
InChIKeyHWVZZVGGTNXFPC-UHFFFAOYSA-N
MW182.30 g/mol
LogP1.12
Rot. Bonds1

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

(2,6-diethynylcyclohexa-2,4-dien-1-ylidene)-ethenylsilane (PubChem CID 173167892) has the molecular formula C12H10Si and a molecular weight of 182.30 g/mol. Its IUPAC name is (2,6-diethynylcyclohexa-2,4-dien-1-ylidene)-ethenylsilane.

Molecular Properties

Compound Name(2,6-diethynylcyclohexa-2,4-dien-1-ylidene)-ethenylsilane
PubChem CID173167892
Molecular FormulaC12H10Si
Molecular Weight182.30 g/mol
Exact Mass182.06
IUPAC Name(2,6-diethynylcyclohexa-2,4-dien-1-ylidene)-ethenylsilane
SMILESC#CC1=CC=CC(C#C)C1=[SiH]C=C
InChIInChI=1S/C12H10Si/c1-4-10-8-7-9-11(5-2)12(10)13-6-3/h1-2,6-10,13H,3H2
InChIKeyHWVZZVGGTNXFPC-UHFFFAOYSA-N
XLogP1.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.30
LogP ≤ 51.12
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 (2,6-diethynylcyclohexa-2,4-dien-1-ylidene)-ethenylsilane?
The IUPAC name of (2,6-diethynylcyclohexa-2,4-dien-1-ylidene)-ethenylsilane (CID 173167892) is (2,6-diethynylcyclohexa-2,4-dien-1-ylidene)-ethenylsilane.
What is the SMILES notation for (2,6-diethynylcyclohexa-2,4-dien-1-ylidene)-ethenylsilane?
The canonical SMILES for (2,6-diethynylcyclohexa-2,4-dien-1-ylidene)-ethenylsilane is C#CC1=CC=CC(C#C)C1=[SiH]C=C.
What is the InChIKey of (2,6-diethynylcyclohexa-2,4-dien-1-ylidene)-ethenylsilane?
The InChIKey is HWVZZVGGTNXFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Si/c1-4-10-8-7-9-11(5-2)12(10)13-6-3/h1-2,6-10,13H,3H2.
What are the key properties of (2,6-diethynylcyclohexa-2,4-dien-1-ylidene)-ethenylsilane?
(2,6-diethynylcyclohexa-2,4-dien-1-ylidene)-ethenylsilane has a molecular weight of 182.30 g/mol, XLogP of 1.12, 1 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)-ethenylsilane is sourced from PubChem (CID 173167892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).