5-tri(propan-2-yl)silyl-2,3-bis[2-tri(propan-2-yl)silylethynyl]pent-2-en-4-ynenitrile

C36H63NSi3 — CID 101198614

IUPAC5-tri(propan-2-yl)silyl-2,3-bis[2-tri(propan-2-yl)silylethynyl]pent-2-en-4-ynenitrile
SMILESCC(C)[Si](C#CC(C#N)=C(C#C[Si](C(C)C)(C(C)C)C(C)C)C#C[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C36H63NSi3/c1-26(2)38(27(3)4,28(5)6)22-19-35(20-23-39(29(7)8,30(9)10)31(11)12)36(25-37)21-24-40(32(13)14,33(15)16)34(17)18/h26-34H,1-18H3
InChIKeyRGXOQRKSUXROPS-UHFFFAOYSA-N
MW594.17 g/mol
LogP11.47
Rot. Bonds9

About 5-tri(propan-2-yl)silyl-2,3-bis[2-tri(propan-2-yl)silylethynyl]pent-2-en-4-ynenitrile

5-tri(propan-2-yl)silyl-2,3-bis[2-tri(propan-2-yl)silylethynyl]pent-2-en-4-ynenitrile (PubChem CID 101198614) has the molecular formula C36H63NSi3 and a molecular weight of 594.17 g/mol. Its IUPAC name is 5-tri(propan-2-yl)silyl-2,3-bis[2-tri(propan-2-yl)silylethynyl]pent-2-en-4-ynenitrile.

Molecular Properties

Compound Name5-tri(propan-2-yl)silyl-2,3-bis[2-tri(propan-2-yl)silylethynyl]pent-2-en-4-ynenitrile
PubChem CID101198614
Molecular FormulaC36H63NSi3
Molecular Weight594.17 g/mol
Exact Mass593.43
IUPAC Name5-tri(propan-2-yl)silyl-2,3-bis[2-tri(propan-2-yl)silylethynyl]pent-2-en-4-ynenitrile
SMILESCC(C)[Si](C#CC(C#N)=C(C#C[Si](C(C)C)(C(C)C)C(C)C)C#C[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C36H63NSi3/c1-26(2)38(27(3)4,28(5)6)22-19-35(20-23-39(29(7)8,30(9)10)31(11)12)36(25-37)21-24-40(32(13)14,33(15)16)34(17)18/h26-34H,1-18H3
InChIKeyRGXOQRKSUXROPS-UHFFFAOYSA-N
XLogP11.47
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.17
LogP ≤ 511.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Related Compounds

2-[1,5-Bis(trimethylsilyl)penta-1,4-diyn-3-ylidene]propanedinitrile
CID 101198613
(2Z,8Z)-2,3,8,9-tetrakis[2-tri(propan-2-yl)silylethynyl]deca-2,8-dien-4,6-diynedinitrile
CID 101198623
2-Chloro-5-tri(propan-2-yl)silyl-3-[2-tri(propan-2-yl)silylethynyl]pent-2-en-4-ynenitrile
CID 134933216
(E)-2,3-bis[2-tri(propan-2-yl)silylethynyl]but-2-enedinitrile
CID 101198616
4-Tri(propan-2-yl)silylbut-1-en-3-yne-1,1,2-tricarbonitrile
CID 101198618
(E)-3-(2-triethylsilylethynyl)-5-tri(propan-2-yl)silyl-2-[2-tri(propan-2-yl)silylethynyl]pent-2-en-4-ynenitrile
CID 101739243
(Z)-3-ethynyl-5-tri(propan-2-yl)silyl-2-[2-tri(propan-2-yl)silylethynyl]pent-2-en-4-ynenitrile
CID 101739245
2-[1,5-Bis[tri(propan-2-yl)silyl]penta-1,4-diyn-3-ylidene]propanedinitrile
CID 25157466
(Z)-3-(2-triethylsilylethynyl)-5-tri(propan-2-yl)silyl-2-[2-tri(propan-2-yl)silylethynyl]pent-2-en-4-ynenitrile
CID 101198615
2-[1-Trimethylsilyl-5-tri(propan-2-yl)silylpenta-1,4-diyn-3-ylidene]propanedinitrile
CID 101198617
(2E,8E)-2,3,8,9-tetrakis[2-tri(propan-2-yl)silylethynyl]deca-2,8-dien-4,6-diynedinitrile
CID 101198619
2-[1,11-Bis[tri(propan-2-yl)silyl]-8,9-bis[2-tri(propan-2-yl)silylethynyl]undec-8-en-1,4,6,10-tetrayn-3-ylidene]propanedinitrile
CID 101198622

Frequently Asked Questions

What is the IUPAC name of 5-tri(propan-2-yl)silyl-2,3-bis[2-tri(propan-2-yl)silylethynyl]pent-2-en-4-ynenitrile?
The IUPAC name of 5-tri(propan-2-yl)silyl-2,3-bis[2-tri(propan-2-yl)silylethynyl]pent-2-en-4-ynenitrile (CID 101198614) is 5-tri(propan-2-yl)silyl-2,3-bis[2-tri(propan-2-yl)silylethynyl]pent-2-en-4-ynenitrile.
What is the SMILES notation for 5-tri(propan-2-yl)silyl-2,3-bis[2-tri(propan-2-yl)silylethynyl]pent-2-en-4-ynenitrile?
The canonical SMILES for 5-tri(propan-2-yl)silyl-2,3-bis[2-tri(propan-2-yl)silylethynyl]pent-2-en-4-ynenitrile is CC(C)[Si](C#CC(C#N)=C(C#C[Si](C(C)C)(C(C)C)C(C)C)C#C[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 5-tri(propan-2-yl)silyl-2,3-bis[2-tri(propan-2-yl)silylethynyl]pent-2-en-4-ynenitrile?
The InChIKey is RGXOQRKSUXROPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H63NSi3/c1-26(2)38(27(3)4,28(5)6)22-19-35(20-23-39(29(7)8,30(9)10)31(11)12)36(25-37)21-24-40(32(13)14,33(15)16)34(17)18/h26-34H,1-18H3.
What are the key properties of 5-tri(propan-2-yl)silyl-2,3-bis[2-tri(propan-2-yl)silylethynyl]pent-2-en-4-ynenitrile?
5-tri(propan-2-yl)silyl-2,3-bis[2-tri(propan-2-yl)silylethynyl]pent-2-en-4-ynenitrile has a molecular weight of 594.17 g/mol, XLogP of 11.47, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tri(propan-2-yl)silyl-2,3-bis[2-tri(propan-2-yl)silylethynyl]pent-2-en-4-ynenitrile is sourced from PubChem (CID 101198614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).