2,5-bis[3-[diethoxy(methyl)silyl]propyl]cyclohexa-2,5-diene-1,4-dione

C22H40O6Si2 — CID 101392897

IUPAC2,5-bis[3-[diethoxy(methyl)silyl]propyl]cyclohexa-2,5-diene-1,4-dione
SMILESCCO[Si](C)(CCCC1=CC(=O)C(CCC[Si](C)(OCC)OCC)=CC1=O)OCC
InChIInChI=1S/C22H40O6Si2/c1-7-25-29(5,26-8-2)15-11-13-19-17-22(24)20(18-21(19)23)14-12-16-30(6,27-9-3)28-10-4/h17-18H,7-16H2,1-6H3
InChIKeyCHQFRSRTNXOKKV-UHFFFAOYSA-N
MW456.73 g/mol
LogP4.84
Rot. Bonds16

About 2,5-bis[3-[diethoxy(methyl)silyl]propyl]cyclohexa-2,5-diene-1,4-dione

2,5-bis[3-[diethoxy(methyl)silyl]propyl]cyclohexa-2,5-diene-1,4-dione (PubChem CID 101392897) has the molecular formula C22H40O6Si2 and a molecular weight of 456.73 g/mol. Its IUPAC name is 2,5-bis[3-[diethoxy(methyl)silyl]propyl]cyclohexa-2,5-diene-1,4-dione.

Molecular Properties

Compound Name2,5-bis[3-[diethoxy(methyl)silyl]propyl]cyclohexa-2,5-diene-1,4-dione
PubChem CID101392897
Molecular FormulaC22H40O6Si2
Molecular Weight456.73 g/mol
Exact Mass456.24
IUPAC Name2,5-bis[3-[diethoxy(methyl)silyl]propyl]cyclohexa-2,5-diene-1,4-dione
SMILESCCO[Si](C)(CCCC1=CC(=O)C(CCC[Si](C)(OCC)OCC)=CC1=O)OCC
InChIInChI=1S/C22H40O6Si2/c1-7-25-29(5,26-8-2)15-11-13-19-17-22(24)20(18-21(19)23)14-12-16-30(6,27-9-3)28-10-4/h17-18H,7-16H2,1-6H3
InChIKeyCHQFRSRTNXOKKV-UHFFFAOYSA-N
XLogP4.84
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.73
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 2,5-bis[3-[diethoxy(methyl)silyl]propyl]cyclohexa-2,5-diene-1,4-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 2,5-bis[3-[diethoxy(methyl)silyl]propyl]cyclohexa-2,5-diene-1,4-dione?
The IUPAC name of 2,5-bis[3-[diethoxy(methyl)silyl]propyl]cyclohexa-2,5-diene-1,4-dione (CID 101392897) is 2,5-bis[3-[diethoxy(methyl)silyl]propyl]cyclohexa-2,5-diene-1,4-dione.
What is the SMILES notation for 2,5-bis[3-[diethoxy(methyl)silyl]propyl]cyclohexa-2,5-diene-1,4-dione?
The canonical SMILES for 2,5-bis[3-[diethoxy(methyl)silyl]propyl]cyclohexa-2,5-diene-1,4-dione is CCO[Si](C)(CCCC1=CC(=O)C(CCC[Si](C)(OCC)OCC)=CC1=O)OCC.
What is the InChIKey of 2,5-bis[3-[diethoxy(methyl)silyl]propyl]cyclohexa-2,5-diene-1,4-dione?
The InChIKey is CHQFRSRTNXOKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40O6Si2/c1-7-25-29(5,26-8-2)15-11-13-19-17-22(24)20(18-21(19)23)14-12-16-30(6,27-9-3)28-10-4/h17-18H,7-16H2,1-6H3.
What are the key properties of 2,5-bis[3-[diethoxy(methyl)silyl]propyl]cyclohexa-2,5-diene-1,4-dione?
2,5-bis[3-[diethoxy(methyl)silyl]propyl]cyclohexa-2,5-diene-1,4-dione has a molecular weight of 456.73 g/mol, XLogP of 4.84, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[3-[diethoxy(methyl)silyl]propyl]cyclohexa-2,5-diene-1,4-dione is sourced from PubChem (CID 101392897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).