(2-ethynylcyclohexa-2,4-dien-1-ylidene)-dimethylsilane

C10H12Si — CID 173168244

IUPAC(2-ethynylcyclohexa-2,4-dien-1-ylidene)-dimethylsilane
SMILESC#CC1=CC=CCC1=[Si](C)C
InChIInChI=1S/C10H12Si/c1-4-9-7-5-6-8-10(9)11(2)3/h1,5-7H,8H2,2-3H3
InChIKeyIKKUIUJBPGSNJP-UHFFFAOYSA-N
MW160.29 g/mol
LogP2.01
Rot. Bonds

About (2-ethynylcyclohexa-2,4-dien-1-ylidene)-dimethylsilane

(2-ethynylcyclohexa-2,4-dien-1-ylidene)-dimethylsilane (PubChem CID 173168244) has the molecular formula C10H12Si and a molecular weight of 160.29 g/mol. Its IUPAC name is (2-ethynylcyclohexa-2,4-dien-1-ylidene)-dimethylsilane.

Molecular Properties

Compound Name(2-ethynylcyclohexa-2,4-dien-1-ylidene)-dimethylsilane
PubChem CID173168244
Molecular FormulaC10H12Si
Molecular Weight160.29 g/mol
Exact Mass160.07
IUPAC Name(2-ethynylcyclohexa-2,4-dien-1-ylidene)-dimethylsilane
SMILESC#CC1=CC=CCC1=[Si](C)C
InChIInChI=1S/C10H12Si/c1-4-9-7-5-6-8-10(9)11(2)3/h1,5-7H,8H2,2-3H3
InChIKeyIKKUIUJBPGSNJP-UHFFFAOYSA-N
XLogP2.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.29
LogP ≤ 52.01
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-ethynylcyclohexa-2,4-dien-1-ylidene)-dimethylsilane?
The IUPAC name of (2-ethynylcyclohexa-2,4-dien-1-ylidene)-dimethylsilane (CID 173168244) is (2-ethynylcyclohexa-2,4-dien-1-ylidene)-dimethylsilane.
What is the SMILES notation for (2-ethynylcyclohexa-2,4-dien-1-ylidene)-dimethylsilane?
The canonical SMILES for (2-ethynylcyclohexa-2,4-dien-1-ylidene)-dimethylsilane is C#CC1=CC=CCC1=[Si](C)C.
What is the InChIKey of (2-ethynylcyclohexa-2,4-dien-1-ylidene)-dimethylsilane?
The InChIKey is IKKUIUJBPGSNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Si/c1-4-9-7-5-6-8-10(9)11(2)3/h1,5-7H,8H2,2-3H3.
What are the key properties of (2-ethynylcyclohexa-2,4-dien-1-ylidene)-dimethylsilane?
(2-ethynylcyclohexa-2,4-dien-1-ylidene)-dimethylsilane has a molecular weight of 160.29 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethynylcyclohexa-2,4-dien-1-ylidene)-dimethylsilane is sourced from PubChem (CID 173168244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).