1,6-bis[tri(propan-2-yl)silyl]hexa-1,5-diyne-3,4-dione

C24H42O2Si2 — CID 11015282

IUPAC1,6-bis[tri(propan-2-yl)silyl]hexa-1,5-diyne-3,4-dione
SMILESCC(C)[Si](C#CC(=O)C(=O)C#C[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C24H42O2Si2/c1-17(2)27(18(3)4,19(5)6)15-13-23(25)24(26)14-16-28(20(7)8,21(9)10)22(11)12/h17-22H,1-12H3
InChIKeyYAEZUESXYBUYSN-UHFFFAOYSA-N
MW418.77 g/mol
LogP6.57
Rot. Bonds7

About 1,6-bis[tri(propan-2-yl)silyl]hexa-1,5-diyne-3,4-dione

1,6-bis[tri(propan-2-yl)silyl]hexa-1,5-diyne-3,4-dione (PubChem CID 11015282) has the molecular formula C24H42O2Si2 and a molecular weight of 418.77 g/mol. Its IUPAC name is 1,6-bis[tri(propan-2-yl)silyl]hexa-1,5-diyne-3,4-dione.

Molecular Properties

Compound Name1,6-bis[tri(propan-2-yl)silyl]hexa-1,5-diyne-3,4-dione
PubChem CID11015282
Molecular FormulaC24H42O2Si2
Molecular Weight418.77 g/mol
Exact Mass418.27
IUPAC Name1,6-bis[tri(propan-2-yl)silyl]hexa-1,5-diyne-3,4-dione
SMILESCC(C)[Si](C#CC(=O)C(=O)C#C[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C24H42O2Si2/c1-17(2)27(18(3)4,19(5)6)15-13-23(25)24(26)14-16-28(20(7)8,21(9)10)22(11)12/h17-22H,1-12H3
InChIKeyYAEZUESXYBUYSN-UHFFFAOYSA-N
XLogP6.57
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.77
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_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 1,6-bis[tri(propan-2-yl)silyl]hexa-1,5-diyne-3,4-dione?
The IUPAC name of 1,6-bis[tri(propan-2-yl)silyl]hexa-1,5-diyne-3,4-dione (CID 11015282) is 1,6-bis[tri(propan-2-yl)silyl]hexa-1,5-diyne-3,4-dione.
What is the SMILES notation for 1,6-bis[tri(propan-2-yl)silyl]hexa-1,5-diyne-3,4-dione?
The canonical SMILES for 1,6-bis[tri(propan-2-yl)silyl]hexa-1,5-diyne-3,4-dione is CC(C)[Si](C#CC(=O)C(=O)C#C[Si](C(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C.
What is the InChIKey of 1,6-bis[tri(propan-2-yl)silyl]hexa-1,5-diyne-3,4-dione?
The InChIKey is YAEZUESXYBUYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O2Si2/c1-17(2)27(18(3)4,19(5)6)15-13-23(25)24(26)14-16-28(20(7)8,21(9)10)22(11)12/h17-22H,1-12H3.
What are the key properties of 1,6-bis[tri(propan-2-yl)silyl]hexa-1,5-diyne-3,4-dione?
1,6-bis[tri(propan-2-yl)silyl]hexa-1,5-diyne-3,4-dione has a molecular weight of 418.77 g/mol, XLogP of 6.57, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-bis[tri(propan-2-yl)silyl]hexa-1,5-diyne-3,4-dione is sourced from PubChem (CID 11015282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).