(2,3-diethynylcyclohexa-2,4-dien-1-ylidene)-dimethylsilane

C12H12Si — CID 173168030

IUPAC(2,3-diethynylcyclohexa-2,4-dien-1-ylidene)-dimethylsilane
SMILESC#CC1=C(C#C)C(=[Si](C)C)CC=C1
InChIInChI=1S/C12H12Si/c1-5-10-8-7-9-12(13(3)4)11(10)6-2/h1-2,7-8H,9H2,3-4H3
InChIKeySJZPNIXITLVOJF-UHFFFAOYSA-N
MW184.31 g/mol
LogP2.02
Rot. Bonds

About (2,3-diethynylcyclohexa-2,4-dien-1-ylidene)-dimethylsilane

(2,3-diethynylcyclohexa-2,4-dien-1-ylidene)-dimethylsilane (PubChem CID 173168030) has the molecular formula C12H12Si and a molecular weight of 184.31 g/mol. Its IUPAC name is (2,3-diethynylcyclohexa-2,4-dien-1-ylidene)-dimethylsilane.

Molecular Properties

Compound Name(2,3-diethynylcyclohexa-2,4-dien-1-ylidene)-dimethylsilane
PubChem CID173168030
Molecular FormulaC12H12Si
Molecular Weight184.31 g/mol
Exact Mass184.07
IUPAC Name(2,3-diethynylcyclohexa-2,4-dien-1-ylidene)-dimethylsilane
SMILESC#CC1=C(C#C)C(=[Si](C)C)CC=C1
InChIInChI=1S/C12H12Si/c1-5-10-8-7-9-12(13(3)4)11(10)6-2/h1-2,7-8H,9H2,3-4H3
InChIKeySJZPNIXITLVOJF-UHFFFAOYSA-N
XLogP2.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.31
LogP ≤ 52.02
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'}

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Frequently Asked Questions

What is the IUPAC name of (2,3-diethynylcyclohexa-2,4-dien-1-ylidene)-dimethylsilane?
The IUPAC name of (2,3-diethynylcyclohexa-2,4-dien-1-ylidene)-dimethylsilane (CID 173168030) is (2,3-diethynylcyclohexa-2,4-dien-1-ylidene)-dimethylsilane.
What is the SMILES notation for (2,3-diethynylcyclohexa-2,4-dien-1-ylidene)-dimethylsilane?
The canonical SMILES for (2,3-diethynylcyclohexa-2,4-dien-1-ylidene)-dimethylsilane is C#CC1=C(C#C)C(=[Si](C)C)CC=C1.
What is the InChIKey of (2,3-diethynylcyclohexa-2,4-dien-1-ylidene)-dimethylsilane?
The InChIKey is SJZPNIXITLVOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Si/c1-5-10-8-7-9-12(13(3)4)11(10)6-2/h1-2,7-8H,9H2,3-4H3.
What are the key properties of (2,3-diethynylcyclohexa-2,4-dien-1-ylidene)-dimethylsilane?
(2,3-diethynylcyclohexa-2,4-dien-1-ylidene)-dimethylsilane has a molecular weight of 184.31 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-diethynylcyclohexa-2,4-dien-1-ylidene)-dimethylsilane is sourced from PubChem (CID 173168030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).