1,5-bis[tert-butyl(diphenyl)silyl]pentane-2,4-dione

C37H44O2Si2 — CID 59364523

IUPAC1,5-bis[tert-butyl(diphenyl)silyl]pentane-2,4-dione
SMILESCC(C)(C)[Si](CC(=O)CC(=O)C[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H44O2Si2/c1-36(2,3)40(32-19-11-7-12-20-32,33-21-13-8-14-22-33)28-30(38)27-31(39)29-41(37(4,5)6,34-23-15-9-16-24-34)35-25-17-10-18-26-35/h7-26H,27-29H2,1-6H3
InChIKeyRVOFIQBIVLRPQS-UHFFFAOYSA-N
MW576.93 g/mol
LogP6.64
Rot. Bonds10

About 1,5-bis[tert-butyl(diphenyl)silyl]pentane-2,4-dione

1,5-bis[tert-butyl(diphenyl)silyl]pentane-2,4-dione (PubChem CID 59364523) has the molecular formula C37H44O2Si2 and a molecular weight of 576.93 g/mol. Its IUPAC name is 1,5-bis[tert-butyl(diphenyl)silyl]pentane-2,4-dione.

Molecular Properties

Compound Name1,5-bis[tert-butyl(diphenyl)silyl]pentane-2,4-dione
PubChem CID59364523
Molecular FormulaC37H44O2Si2
Molecular Weight576.93 g/mol
Exact Mass576.29
IUPAC Name1,5-bis[tert-butyl(diphenyl)silyl]pentane-2,4-dione
SMILESCC(C)(C)[Si](CC(=O)CC(=O)C[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H44O2Si2/c1-36(2,3)40(32-19-11-7-12-20-32,33-21-13-8-14-22-33)28-30(38)27-31(39)29-41(37(4,5)6,34-23-15-9-16-24-34)35-25-17-10-18-26-35/h7-26H,27-29H2,1-6H3
InChIKeyRVOFIQBIVLRPQS-UHFFFAOYSA-N
XLogP6.64
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.93
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 1,5-bis[tert-butyl(diphenyl)silyl]pentane-2,4-dione 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 1,5-bis[tert-butyl(diphenyl)silyl]pentane-2,4-dione?
The IUPAC name of 1,5-bis[tert-butyl(diphenyl)silyl]pentane-2,4-dione (CID 59364523) is 1,5-bis[tert-butyl(diphenyl)silyl]pentane-2,4-dione.
What is the SMILES notation for 1,5-bis[tert-butyl(diphenyl)silyl]pentane-2,4-dione?
The canonical SMILES for 1,5-bis[tert-butyl(diphenyl)silyl]pentane-2,4-dione is CC(C)(C)[Si](CC(=O)CC(=O)C[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1,5-bis[tert-butyl(diphenyl)silyl]pentane-2,4-dione?
The InChIKey is RVOFIQBIVLRPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H44O2Si2/c1-36(2,3)40(32-19-11-7-12-20-32,33-21-13-8-14-22-33)28-30(38)27-31(39)29-41(37(4,5)6,34-23-15-9-16-24-34)35-25-17-10-18-26-35/h7-26H,27-29H2,1-6H3.
What are the key properties of 1,5-bis[tert-butyl(diphenyl)silyl]pentane-2,4-dione?
1,5-bis[tert-butyl(diphenyl)silyl]pentane-2,4-dione has a molecular weight of 576.93 g/mol, XLogP of 6.64, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis[tert-butyl(diphenyl)silyl]pentane-2,4-dione is sourced from PubChem (CID 59364523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).