4-[[tert-butyl-[tert-butyl-[(3-ethyl-4-hydroxy-4-methylcyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]-2-ethyl-1-methylcyclopent-2-en-1-ol

C28H54O3Si2 — CID 142626650

IUPAC4-[[tert-butyl-[tert-butyl-[(3-ethyl-4-hydroxy-4-methylcyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]-2-ethyl-1-methylcyclopent-2-en-1-ol
SMILESCCC1=CC(C[Si](C)(O[Si](C)(CC2C=C(CC)C(C)(O)C2)C(C)(C)C)C(C)(C)C)CC1(C)O
InChIInChI=1S/C28H54O3Si2/c1-13-23-15-21(17-27(23,9)29)19-32(11,25(3,4)5)31-33(12,26(6,7)8)20-22-16-24(14-2)28(10,30)18-22/h15-16,21-22,29-30H,13-14,17-20H2,1-12H3
InChIKeyOPTOYRIQPNKHIV-UHFFFAOYSA-N
MW494.91 g/mol
LogP7.97
Rot. Bonds8

About 4-[[tert-butyl-[tert-butyl-[(3-ethyl-4-hydroxy-4-methylcyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]-2-ethyl-1-methylcyclopent-2-en-1-ol

4-[[tert-butyl-[tert-butyl-[(3-ethyl-4-hydroxy-4-methylcyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]-2-ethyl-1-methylcyclopent-2-en-1-ol (PubChem CID 142626650) has the molecular formula C28H54O3Si2 and a molecular weight of 494.91 g/mol. Its IUPAC name is 4-[[tert-butyl-[tert-butyl-[(3-ethyl-4-hydroxy-4-methylcyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]-2-ethyl-1-methylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name4-[[tert-butyl-[tert-butyl-[(3-ethyl-4-hydroxy-4-methylcyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]-2-ethyl-1-methylcyclopent-2-en-1-ol
PubChem CID142626650
Molecular FormulaC28H54O3Si2
Molecular Weight494.91 g/mol
Exact Mass494.36
IUPAC Name4-[[tert-butyl-[tert-butyl-[(3-ethyl-4-hydroxy-4-methylcyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]-2-ethyl-1-methylcyclopent-2-en-1-ol
SMILESCCC1=CC(C[Si](C)(O[Si](C)(CC2C=C(CC)C(C)(O)C2)C(C)(C)C)C(C)(C)C)CC1(C)O
InChIInChI=1S/C28H54O3Si2/c1-13-23-15-21(17-27(23,9)29)19-32(11,25(3,4)5)31-33(12,26(6,7)8)20-22-16-24(14-2)28(10,30)18-22/h15-16,21-22,29-30H,13-14,17-20H2,1-12H3
InChIKeyOPTOYRIQPNKHIV-UHFFFAOYSA-N
XLogP7.97
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.91
LogP ≤ 57.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-[[tert-butyl-[tert-butyl-[(3-ethyl-4-hydroxy-4-methylcyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]-2-ethyl-1-methylcyclopent-2-en-1-ol 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 4-[[tert-butyl-[tert-butyl-[(3-ethyl-4-hydroxy-4-methylcyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]-2-ethyl-1-methylcyclopent-2-en-1-ol?
The IUPAC name of 4-[[tert-butyl-[tert-butyl-[(3-ethyl-4-hydroxy-4-methylcyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]-2-ethyl-1-methylcyclopent-2-en-1-ol (CID 142626650) is 4-[[tert-butyl-[tert-butyl-[(3-ethyl-4-hydroxy-4-methylcyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]-2-ethyl-1-methylcyclopent-2-en-1-ol.
What is the SMILES notation for 4-[[tert-butyl-[tert-butyl-[(3-ethyl-4-hydroxy-4-methylcyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]-2-ethyl-1-methylcyclopent-2-en-1-ol?
The canonical SMILES for 4-[[tert-butyl-[tert-butyl-[(3-ethyl-4-hydroxy-4-methylcyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]-2-ethyl-1-methylcyclopent-2-en-1-ol is CCC1=CC(C[Si](C)(O[Si](C)(CC2C=C(CC)C(C)(O)C2)C(C)(C)C)C(C)(C)C)CC1(C)O.
What is the InChIKey of 4-[[tert-butyl-[tert-butyl-[(3-ethyl-4-hydroxy-4-methylcyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]-2-ethyl-1-methylcyclopent-2-en-1-ol?
The InChIKey is OPTOYRIQPNKHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H54O3Si2/c1-13-23-15-21(17-27(23,9)29)19-32(11,25(3,4)5)31-33(12,26(6,7)8)20-22-16-24(14-2)28(10,30)18-22/h15-16,21-22,29-30H,13-14,17-20H2,1-12H3.
What are the key properties of 4-[[tert-butyl-[tert-butyl-[(3-ethyl-4-hydroxy-4-methylcyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]-2-ethyl-1-methylcyclopent-2-en-1-ol?
4-[[tert-butyl-[tert-butyl-[(3-ethyl-4-hydroxy-4-methylcyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]-2-ethyl-1-methylcyclopent-2-en-1-ol has a molecular weight of 494.91 g/mol, XLogP of 7.97, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[tert-butyl-[tert-butyl-[(3-ethyl-4-hydroxy-4-methylcyclopent-2-en-1-yl)methyl]-methylsilyl]oxy-methylsilyl]methyl]-2-ethyl-1-methylcyclopent-2-en-1-ol is sourced from PubChem (CID 142626650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).