2-[1,5-bis[tri(propan-2-yl)silyl]penta-1,4-diyn-3-ylidene]propanedinitrile

C26H42N2Si2 — CID 25157466

IUPAC2-[1,5-bis[tri(propan-2-yl)silyl]penta-1,4-diyn-3-ylidene]propanedinitrile
SMILESCC(C)[Si](C#CC(C#C[Si](C(C)C)(C(C)C)C(C)C)=C(C#N)C#N)(C(C)C)C(C)C
InChIInChI=1S/C26H42N2Si2/c1-19(2)29(20(3)4,21(5)6)15-13-25(26(17-27)18-28)14-16-30(22(7)8,23(9)10)24(11)12/h19-24H,1-12H3
InChIKeyZHSJWDHXXCSDJK-UHFFFAOYSA-N
MW438.81 g/mol
LogP7.77
Rot. Bonds6

About 2-[1,5-bis[tri(propan-2-yl)silyl]penta-1,4-diyn-3-ylidene]propanedinitrile

2-[1,5-bis[tri(propan-2-yl)silyl]penta-1,4-diyn-3-ylidene]propanedinitrile (PubChem CID 25157466) has the molecular formula C26H42N2Si2 and a molecular weight of 438.81 g/mol. Its IUPAC name is 2-[1,5-bis[tri(propan-2-yl)silyl]penta-1,4-diyn-3-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[1,5-bis[tri(propan-2-yl)silyl]penta-1,4-diyn-3-ylidene]propanedinitrile
PubChem CID25157466
Molecular FormulaC26H42N2Si2
Molecular Weight438.81 g/mol
Exact Mass438.29
IUPAC Name2-[1,5-bis[tri(propan-2-yl)silyl]penta-1,4-diyn-3-ylidene]propanedinitrile
SMILESCC(C)[Si](C#CC(C#C[Si](C(C)C)(C(C)C)C(C)C)=C(C#N)C#N)(C(C)C)C(C)C
InChIInChI=1S/C26H42N2Si2/c1-19(2)29(20(3)4,21(5)6)15-13-25(26(17-27)18-28)14-16-30(22(7)8,23(9)10)24(11)12/h19-24H,1-12H3
InChIKeyZHSJWDHXXCSDJK-UHFFFAOYSA-N
XLogP7.77
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.81
LogP ≤ 57.77
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1,5-bis[tri(propan-2-yl)silyl]penta-1,4-diyn-3-ylidene]propanedinitrile?
The IUPAC name of 2-[1,5-bis[tri(propan-2-yl)silyl]penta-1,4-diyn-3-ylidene]propanedinitrile (CID 25157466) is 2-[1,5-bis[tri(propan-2-yl)silyl]penta-1,4-diyn-3-ylidene]propanedinitrile.
What is the SMILES notation for 2-[1,5-bis[tri(propan-2-yl)silyl]penta-1,4-diyn-3-ylidene]propanedinitrile?
The canonical SMILES for 2-[1,5-bis[tri(propan-2-yl)silyl]penta-1,4-diyn-3-ylidene]propanedinitrile is CC(C)[Si](C#CC(C#C[Si](C(C)C)(C(C)C)C(C)C)=C(C#N)C#N)(C(C)C)C(C)C.
What is the InChIKey of 2-[1,5-bis[tri(propan-2-yl)silyl]penta-1,4-diyn-3-ylidene]propanedinitrile?
The InChIKey is ZHSJWDHXXCSDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42N2Si2/c1-19(2)29(20(3)4,21(5)6)15-13-25(26(17-27)18-28)14-16-30(22(7)8,23(9)10)24(11)12/h19-24H,1-12H3.
What are the key properties of 2-[1,5-bis[tri(propan-2-yl)silyl]penta-1,4-diyn-3-ylidene]propanedinitrile?
2-[1,5-bis[tri(propan-2-yl)silyl]penta-1,4-diyn-3-ylidene]propanedinitrile has a molecular weight of 438.81 g/mol, XLogP of 7.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,5-bis[tri(propan-2-yl)silyl]penta-1,4-diyn-3-ylidene]propanedinitrile is sourced from PubChem (CID 25157466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).