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

C16H20Si — CID 173168074

IUPAC(2,6-diethynylcyclohexa-2,4-dien-1-ylidene)-hexylsilane
SMILESC#CC1=CC=CC(C#C)C1=[SiH]CCCCCC
InChIInChI=1S/C16H20Si/c1-4-7-8-9-13-17-16-14(5-2)11-10-12-15(16)6-3/h2-3,10-12,14,17H,4,7-9,13H2,1H3
InChIKeyBWOATWJZGUWHRA-UHFFFAOYSA-N
MW240.42 g/mol
LogP2.97
Rot. Bonds5

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

(2,6-diethynylcyclohexa-2,4-dien-1-ylidene)-hexylsilane (PubChem CID 173168074) has the molecular formula C16H20Si and a molecular weight of 240.42 g/mol. Its IUPAC name is (2,6-diethynylcyclohexa-2,4-dien-1-ylidene)-hexylsilane.

Molecular Properties

Compound Name(2,6-diethynylcyclohexa-2,4-dien-1-ylidene)-hexylsilane
PubChem CID173168074
Molecular FormulaC16H20Si
Molecular Weight240.42 g/mol
Exact Mass240.13
IUPAC Name(2,6-diethynylcyclohexa-2,4-dien-1-ylidene)-hexylsilane
SMILESC#CC1=CC=CC(C#C)C1=[SiH]CCCCCC
InChIInChI=1S/C16H20Si/c1-4-7-8-9-13-17-16-14(5-2)11-10-12-15(16)6-3/h2-3,10-12,14,17H,4,7-9,13H2,1H3
InChIKeyBWOATWJZGUWHRA-UHFFFAOYSA-N
XLogP2.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)-hexylsilane?
The IUPAC name of (2,6-diethynylcyclohexa-2,4-dien-1-ylidene)-hexylsilane (CID 173168074) is (2,6-diethynylcyclohexa-2,4-dien-1-ylidene)-hexylsilane.
What is the SMILES notation for (2,6-diethynylcyclohexa-2,4-dien-1-ylidene)-hexylsilane?
The canonical SMILES for (2,6-diethynylcyclohexa-2,4-dien-1-ylidene)-hexylsilane is C#CC1=CC=CC(C#C)C1=[SiH]CCCCCC.
What is the InChIKey of (2,6-diethynylcyclohexa-2,4-dien-1-ylidene)-hexylsilane?
The InChIKey is BWOATWJZGUWHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Si/c1-4-7-8-9-13-17-16-14(5-2)11-10-12-15(16)6-3/h2-3,10-12,14,17H,4,7-9,13H2,1H3.
What are the key properties of (2,6-diethynylcyclohexa-2,4-dien-1-ylidene)-hexylsilane?
(2,6-diethynylcyclohexa-2,4-dien-1-ylidene)-hexylsilane has a molecular weight of 240.42 g/mol, XLogP of 2.97, 5 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)-hexylsilane is sourced from PubChem (CID 173168074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).