[3-ethynyl-6-phenyl-4-(2-phenylethynyl)hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane

C31H32Si — CID 14935770

IUPAC[3-ethynyl-6-phenyl-4-(2-phenylethynyl)hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
SMILESC#CC(C#C[Si](C(C)C)(C(C)C)C(C)C)=C(C#Cc1ccccc1)C#Cc1ccccc1
InChIInChI=1S/C31H32Si/c1-8-30(23-24-32(25(2)3,26(4)5)27(6)7)31(21-19-28-15-11-9-12-16-28)22-20-29-17-13-10-14-18-29/h1,9-18,25-27H,2-7H3
InChIKeyDYMJDYUVFYVVMH-UHFFFAOYSA-N
MW432.68 g/mol
LogP7.24
Rot. Bonds3

About [3-ethynyl-6-phenyl-4-(2-phenylethynyl)hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane

[3-ethynyl-6-phenyl-4-(2-phenylethynyl)hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane (PubChem CID 14935770) has the molecular formula C31H32Si and a molecular weight of 432.68 g/mol. Its IUPAC name is [3-ethynyl-6-phenyl-4-(2-phenylethynyl)hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[3-ethynyl-6-phenyl-4-(2-phenylethynyl)hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
PubChem CID14935770
Molecular FormulaC31H32Si
Molecular Weight432.68 g/mol
Exact Mass432.23
IUPAC Name[3-ethynyl-6-phenyl-4-(2-phenylethynyl)hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane
SMILESC#CC(C#C[Si](C(C)C)(C(C)C)C(C)C)=C(C#Cc1ccccc1)C#Cc1ccccc1
InChIInChI=1S/C31H32Si/c1-8-30(23-24-32(25(2)3,26(4)5)27(6)7)31(21-19-28-15-11-9-12-16-28)22-20-29-17-13-10-14-18-29/h1,9-18,25-27H,2-7H3
InChIKeyDYMJDYUVFYVVMH-UHFFFAOYSA-N
XLogP7.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.68
LogP ≤ 57.24
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 [3-ethynyl-6-phenyl-4-(2-phenylethynyl)hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane?
The IUPAC name of [3-ethynyl-6-phenyl-4-(2-phenylethynyl)hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane (CID 14935770) is [3-ethynyl-6-phenyl-4-(2-phenylethynyl)hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane.
What is the SMILES notation for [3-ethynyl-6-phenyl-4-(2-phenylethynyl)hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane?
The canonical SMILES for [3-ethynyl-6-phenyl-4-(2-phenylethynyl)hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane is C#CC(C#C[Si](C(C)C)(C(C)C)C(C)C)=C(C#Cc1ccccc1)C#Cc1ccccc1.
What is the InChIKey of [3-ethynyl-6-phenyl-4-(2-phenylethynyl)hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane?
The InChIKey is DYMJDYUVFYVVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32Si/c1-8-30(23-24-32(25(2)3,26(4)5)27(6)7)31(21-19-28-15-11-9-12-16-28)22-20-29-17-13-10-14-18-29/h1,9-18,25-27H,2-7H3.
What are the key properties of [3-ethynyl-6-phenyl-4-(2-phenylethynyl)hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane?
[3-ethynyl-6-phenyl-4-(2-phenylethynyl)hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane has a molecular weight of 432.68 g/mol, XLogP of 7.24, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethynyl-6-phenyl-4-(2-phenylethynyl)hex-3-en-1,5-diynyl]-tri(propan-2-yl)silane is sourced from PubChem (CID 14935770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).