tri(propan-2-yl)-[6-tri(propan-2-yl)silyl-3,4-bis[2-tri(propan-2-yl)silylethynyl]hex-3-en-1,5-diynyl]silane

C46H84Si4 — CID 2756755

IUPACtri(propan-2-yl)-[6-tri(propan-2-yl)silyl-3,4-bis[2-tri(propan-2-yl)silylethynyl]hex-3-en-1,5-diynyl]silane
SMILESCC(C)[Si](C#CC(C#C[Si](C(C)C)(C(C)C)C(C)C)=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/C46H84Si4/c1-33(2)47(34(3)4,35(5)6)29-25-45(26-30-48(36(7)8,37(9)10)38(11)12)46(27-31-49(39(13)14,40(15)16)41(17)18)28-32-50(42(19)20,43(21)22)44(23)24/h33-44H,1-24H3
InChIKeyZNACEAVFJDVWBF-UHFFFAOYSA-N
MW749.52 g/mol
LogP15.17
Rot. Bonds12

About tri(propan-2-yl)-[6-tri(propan-2-yl)silyl-3,4-bis[2-tri(propan-2-yl)silylethynyl]hex-3-en-1,5-diynyl]silane

tri(propan-2-yl)-[6-tri(propan-2-yl)silyl-3,4-bis[2-tri(propan-2-yl)silylethynyl]hex-3-en-1,5-diynyl]silane (PubChem CID 2756755) has the molecular formula C46H84Si4 and a molecular weight of 749.52 g/mol. Its IUPAC name is tri(propan-2-yl)-[6-tri(propan-2-yl)silyl-3,4-bis[2-tri(propan-2-yl)silylethynyl]hex-3-en-1,5-diynyl]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[6-tri(propan-2-yl)silyl-3,4-bis[2-tri(propan-2-yl)silylethynyl]hex-3-en-1,5-diynyl]silane
PubChem CID2756755
Molecular FormulaC46H84Si4
Molecular Weight749.52 g/mol
Exact Mass748.57
IUPAC Nametri(propan-2-yl)-[6-tri(propan-2-yl)silyl-3,4-bis[2-tri(propan-2-yl)silylethynyl]hex-3-en-1,5-diynyl]silane
SMILESCC(C)[Si](C#CC(C#C[Si](C(C)C)(C(C)C)C(C)C)=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/C46H84Si4/c1-33(2)47(34(3)4,35(5)6)29-25-45(26-30-48(36(7)8,37(9)10)38(11)12)46(27-31-49(39(13)14,40(15)16)41(17)18)28-32-50(42(19)20,43(21)22)44(23)24/h33-44H,1-24H3
InChIKeyZNACEAVFJDVWBF-UHFFFAOYSA-N
XLogP15.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.52
LogP ≤ 515.17
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'}

Analyze tri(propan-2-yl)-[6-tri(propan-2-yl)silyl-3,4-bis[2-tri(propan-2-yl)silylethynyl]hex-3-en-1,5-diynyl]silane 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 tri(propan-2-yl)-[6-tri(propan-2-yl)silyl-3,4-bis[2-tri(propan-2-yl)silylethynyl]hex-3-en-1,5-diynyl]silane?
The IUPAC name of tri(propan-2-yl)-[6-tri(propan-2-yl)silyl-3,4-bis[2-tri(propan-2-yl)silylethynyl]hex-3-en-1,5-diynyl]silane (CID 2756755) is tri(propan-2-yl)-[6-tri(propan-2-yl)silyl-3,4-bis[2-tri(propan-2-yl)silylethynyl]hex-3-en-1,5-diynyl]silane.
What is the SMILES notation for tri(propan-2-yl)-[6-tri(propan-2-yl)silyl-3,4-bis[2-tri(propan-2-yl)silylethynyl]hex-3-en-1,5-diynyl]silane?
The canonical SMILES for tri(propan-2-yl)-[6-tri(propan-2-yl)silyl-3,4-bis[2-tri(propan-2-yl)silylethynyl]hex-3-en-1,5-diynyl]silane is CC(C)[Si](C#CC(C#C[Si](C(C)C)(C(C)C)C(C)C)=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 tri(propan-2-yl)-[6-tri(propan-2-yl)silyl-3,4-bis[2-tri(propan-2-yl)silylethynyl]hex-3-en-1,5-diynyl]silane?
The InChIKey is ZNACEAVFJDVWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H84Si4/c1-33(2)47(34(3)4,35(5)6)29-25-45(26-30-48(36(7)8,37(9)10)38(11)12)46(27-31-49(39(13)14,40(15)16)41(17)18)28-32-50(42(19)20,43(21)22)44(23)24/h33-44H,1-24H3.
What are the key properties of tri(propan-2-yl)-[6-tri(propan-2-yl)silyl-3,4-bis[2-tri(propan-2-yl)silylethynyl]hex-3-en-1,5-diynyl]silane?
tri(propan-2-yl)-[6-tri(propan-2-yl)silyl-3,4-bis[2-tri(propan-2-yl)silylethynyl]hex-3-en-1,5-diynyl]silane has a molecular weight of 749.52 g/mol, XLogP of 15.17, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[6-tri(propan-2-yl)silyl-3,4-bis[2-tri(propan-2-yl)silylethynyl]hex-3-en-1,5-diynyl]silane is sourced from PubChem (CID 2756755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).