(2,6-diethynylcyclohexa-2,4-dien-1-ylidene)-prop-2-ynylsilane

C13H10Si — CID 173167886

IUPAC(2,6-diethynylcyclohexa-2,4-dien-1-ylidene)-prop-2-ynylsilane
SMILESC#CC[SiH]=C1C(C#C)=CC=CC1C#C
InChIInChI=1S/C13H10Si/c1-4-10-14-13-11(5-2)8-7-9-12(13)6-3/h1-3,7-9,11,14H,10H2
InChIKeyHLWDIEDXRLDWAT-UHFFFAOYSA-N
MW194.31 g/mol
LogP1.03
Rot. Bonds1

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

(2,6-diethynylcyclohexa-2,4-dien-1-ylidene)-prop-2-ynylsilane (PubChem CID 173167886) has the molecular formula C13H10Si and a molecular weight of 194.31 g/mol. Its IUPAC name is (2,6-diethynylcyclohexa-2,4-dien-1-ylidene)-prop-2-ynylsilane.

Molecular Properties

Compound Name(2,6-diethynylcyclohexa-2,4-dien-1-ylidene)-prop-2-ynylsilane
PubChem CID173167886
Molecular FormulaC13H10Si
Molecular Weight194.31 g/mol
Exact Mass194.06
IUPAC Name(2,6-diethynylcyclohexa-2,4-dien-1-ylidene)-prop-2-ynylsilane
SMILESC#CC[SiH]=C1C(C#C)=CC=CC1C#C
InChIInChI=1S/C13H10Si/c1-4-10-14-13-11(5-2)8-7-9-12(13)6-3/h1-3,7-9,11,14H,10H2
InChIKeyHLWDIEDXRLDWAT-UHFFFAOYSA-N
XLogP1.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.31
LogP ≤ 51.03
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)-prop-2-ynylsilane?
The IUPAC name of (2,6-diethynylcyclohexa-2,4-dien-1-ylidene)-prop-2-ynylsilane (CID 173167886) is (2,6-diethynylcyclohexa-2,4-dien-1-ylidene)-prop-2-ynylsilane.
What is the SMILES notation for (2,6-diethynylcyclohexa-2,4-dien-1-ylidene)-prop-2-ynylsilane?
The canonical SMILES for (2,6-diethynylcyclohexa-2,4-dien-1-ylidene)-prop-2-ynylsilane is C#CC[SiH]=C1C(C#C)=CC=CC1C#C.
What is the InChIKey of (2,6-diethynylcyclohexa-2,4-dien-1-ylidene)-prop-2-ynylsilane?
The InChIKey is HLWDIEDXRLDWAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Si/c1-4-10-14-13-11(5-2)8-7-9-12(13)6-3/h1-3,7-9,11,14H,10H2.
What are the key properties of (2,6-diethynylcyclohexa-2,4-dien-1-ylidene)-prop-2-ynylsilane?
(2,6-diethynylcyclohexa-2,4-dien-1-ylidene)-prop-2-ynylsilane has a molecular weight of 194.31 g/mol, XLogP of 1.03, 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)-prop-2-ynylsilane is sourced from PubChem (CID 173167886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).