[2-methyl-4-tris(trimethylsilyl)silylbutan-2-yl] 6-methyl-5-[4-(3-methyl-2-bicyclo[2.2.1]heptanyl)-2,5-dioxooxolan-3-yl]bicyclo[2.2.1]heptane-2-carboxylate

C35H64O5Si4 — CID 18684359

IUPAC[2-methyl-4-tris(trimethylsilyl)silylbutan-2-yl] 6-methyl-5-[4-(3-methyl-2-bicyclo[2.2.1]heptanyl)-2,5-dioxooxolan-3-yl]bicyclo[2.2.1]heptane-2-carboxylate
SMILESCC1C2CCC(C2)C1C1C(=O)OC(=O)C1C1C2CC(C(=O)OC(C)(C)CC[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)C(C2)C1C
InChIInChI=1S/C35H64O5Si4/c1-21-23-14-15-24(18-23)28(21)30-31(34(38)39-33(30)37)29-22(2)26-19-25(29)20-27(26)32(36)40-35(3,4)16-17-44(41(5,6)7,42(8,9)10)43(11,12)13/h21-31H,14-20H2,1-13H3
InChIKeyQDZXZEBAXOIZDU-UHFFFAOYSA-N
MW677.24 g/mol
LogP8.30
Rot. Bonds10

About [2-methyl-4-tris(trimethylsilyl)silylbutan-2-yl] 6-methyl-5-[4-(3-methyl-2-bicyclo[2.2.1]heptanyl)-2,5-dioxooxolan-3-yl]bicyclo[2.2.1]heptane-2-carboxylate

[2-methyl-4-tris(trimethylsilyl)silylbutan-2-yl] 6-methyl-5-[4-(3-methyl-2-bicyclo[2.2.1]heptanyl)-2,5-dioxooxolan-3-yl]bicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 18684359) has the molecular formula C35H64O5Si4 and a molecular weight of 677.24 g/mol. Its IUPAC name is [2-methyl-4-tris(trimethylsilyl)silylbutan-2-yl] 6-methyl-5-[4-(3-methyl-2-bicyclo[2.2.1]heptanyl)-2,5-dioxooxolan-3-yl]bicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

Compound Name[2-methyl-4-tris(trimethylsilyl)silylbutan-2-yl] 6-methyl-5-[4-(3-methyl-2-bicyclo[2.2.1]heptanyl)-2,5-dioxooxolan-3-yl]bicyclo[2.2.1]heptane-2-carboxylate
PubChem CID18684359
Molecular FormulaC35H64O5Si4
Molecular Weight677.24 g/mol
Exact Mass676.38
IUPAC Name[2-methyl-4-tris(trimethylsilyl)silylbutan-2-yl] 6-methyl-5-[4-(3-methyl-2-bicyclo[2.2.1]heptanyl)-2,5-dioxooxolan-3-yl]bicyclo[2.2.1]heptane-2-carboxylate
SMILESCC1C2CCC(C2)C1C1C(=O)OC(=O)C1C1C2CC(C(=O)OC(C)(C)CC[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)C(C2)C1C
InChIInChI=1S/C35H64O5Si4/c1-21-23-14-15-24(18-23)28(21)30-31(34(38)39-33(30)37)29-22(2)26-19-25(29)20-27(26)32(36)40-35(3,4)16-17-44(41(5,6)7,42(8,9)10)43(11,12)13/h21-31H,14-20H2,1-13H3
InChIKeyQDZXZEBAXOIZDU-UHFFFAOYSA-N
XLogP8.30
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500677.24
LogP ≤ 58.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-methyl-4-tris(trimethylsilyl)silylbutan-2-yl] 6-methyl-5-[4-(3-methyl-2-bicyclo[2.2.1]heptanyl)-2,5-dioxooxolan-3-yl]bicyclo[2.2.1]heptane-2-carboxylate 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-methyl-4-tris(trimethylsilyl)silylbutan-2-yl] 6-methyl-5-[4-(3-methyl-2-bicyclo[2.2.1]heptanyl)-2,5-dioxooxolan-3-yl]bicyclo[2.2.1]heptane-2-carboxylate?
The IUPAC name of [2-methyl-4-tris(trimethylsilyl)silylbutan-2-yl] 6-methyl-5-[4-(3-methyl-2-bicyclo[2.2.1]heptanyl)-2,5-dioxooxolan-3-yl]bicyclo[2.2.1]heptane-2-carboxylate (CID 18684359) is [2-methyl-4-tris(trimethylsilyl)silylbutan-2-yl] 6-methyl-5-[4-(3-methyl-2-bicyclo[2.2.1]heptanyl)-2,5-dioxooxolan-3-yl]bicyclo[2.2.1]heptane-2-carboxylate.
What is the SMILES notation for [2-methyl-4-tris(trimethylsilyl)silylbutan-2-yl] 6-methyl-5-[4-(3-methyl-2-bicyclo[2.2.1]heptanyl)-2,5-dioxooxolan-3-yl]bicyclo[2.2.1]heptane-2-carboxylate?
The canonical SMILES for [2-methyl-4-tris(trimethylsilyl)silylbutan-2-yl] 6-methyl-5-[4-(3-methyl-2-bicyclo[2.2.1]heptanyl)-2,5-dioxooxolan-3-yl]bicyclo[2.2.1]heptane-2-carboxylate is CC1C2CCC(C2)C1C1C(=O)OC(=O)C1C1C2CC(C(=O)OC(C)(C)CC[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)C(C2)C1C.
What is the InChIKey of [2-methyl-4-tris(trimethylsilyl)silylbutan-2-yl] 6-methyl-5-[4-(3-methyl-2-bicyclo[2.2.1]heptanyl)-2,5-dioxooxolan-3-yl]bicyclo[2.2.1]heptane-2-carboxylate?
The InChIKey is QDZXZEBAXOIZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H64O5Si4/c1-21-23-14-15-24(18-23)28(21)30-31(34(38)39-33(30)37)29-22(2)26-19-25(29)20-27(26)32(36)40-35(3,4)16-17-44(41(5,6)7,42(8,9)10)43(11,12)13/h21-31H,14-20H2,1-13H3.
What are the key properties of [2-methyl-4-tris(trimethylsilyl)silylbutan-2-yl] 6-methyl-5-[4-(3-methyl-2-bicyclo[2.2.1]heptanyl)-2,5-dioxooxolan-3-yl]bicyclo[2.2.1]heptane-2-carboxylate?
[2-methyl-4-tris(trimethylsilyl)silylbutan-2-yl] 6-methyl-5-[4-(3-methyl-2-bicyclo[2.2.1]heptanyl)-2,5-dioxooxolan-3-yl]bicyclo[2.2.1]heptane-2-carboxylate has a molecular weight of 677.24 g/mol, XLogP of 8.30, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-tris(trimethylsilyl)silylbutan-2-yl] 6-methyl-5-[4-(3-methyl-2-bicyclo[2.2.1]heptanyl)-2,5-dioxooxolan-3-yl]bicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 18684359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).