2-[1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ylidene]propanedinitrile

C20H30N2Si2 — CID 101198617

IUPAC2-[1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ylidene]propanedinitrile
SMILESCC(C)[Si](C#CC(C#C[Si](C)(C)C)=C(C#N)C#N)(C(C)C)C(C)C
InChIInChI=1S/C20H30N2Si2/c1-16(2)24(17(3)4,18(5)6)13-11-19(20(14-21)15-22)10-12-23(7,8)9/h16-18H,1-9H3
InChIKeyGMCVEHPUXQFYTH-UHFFFAOYSA-N
MW354.65 g/mol
LogP5.43
Rot. Bonds3

About 2-[1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ylidene]propanedinitrile

2-[1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ylidene]propanedinitrile (PubChem CID 101198617) has the molecular formula C20H30N2Si2 and a molecular weight of 354.65 g/mol. Its IUPAC name is 2-[1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ylidene]propanedinitrile
PubChem CID101198617
Molecular FormulaC20H30N2Si2
Molecular Weight354.65 g/mol
Exact Mass354.19
IUPAC Name2-[1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ylidene]propanedinitrile
SMILESCC(C)[Si](C#CC(C#C[Si](C)(C)C)=C(C#N)C#N)(C(C)C)C(C)C
InChIInChI=1S/C20H30N2Si2/c1-16(2)24(17(3)4,18(5)6)13-11-19(20(14-21)15-22)10-12-23(7,8)9/h16-18H,1-9H3
InChIKeyGMCVEHPUXQFYTH-UHFFFAOYSA-N
XLogP5.43
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.65
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-[1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ylidene]propanedinitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ylidene]propanedinitrile?
The IUPAC name of 2-[1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ylidene]propanedinitrile (CID 101198617) is 2-[1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ylidene]propanedinitrile.
What is the SMILES notation for 2-[1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ylidene]propanedinitrile?
The canonical SMILES for 2-[1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ylidene]propanedinitrile is CC(C)[Si](C#CC(C#C[Si](C)(C)C)=C(C#N)C#N)(C(C)C)C(C)C.
What is the InChIKey of 2-[1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ylidene]propanedinitrile?
The InChIKey is GMCVEHPUXQFYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2Si2/c1-16(2)24(17(3)4,18(5)6)13-11-19(20(14-21)15-22)10-12-23(7,8)9/h16-18H,1-9H3.
What are the key properties of 2-[1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ylidene]propanedinitrile?
2-[1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ylidene]propanedinitrile has a molecular weight of 354.65 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ylidene]propanedinitrile is sourced from PubChem (CID 101198617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).