[1-[(4-methoxyphenyl)methyl]-2-trimethylsilylcyclopropyl] methanesulfonate

C15H24O4SSi — CID 87406439

IUPAC[1-[(4-methoxyphenyl)methyl]-2-trimethylsilylcyclopropyl] methanesulfonate
SMILESCOc1ccc(CC2(OS(C)(=O)=O)CC2[Si](C)(C)C)cc1
InChIInChI=1S/C15H24O4SSi/c1-18-13-8-6-12(7-9-13)10-15(19-20(2,16)17)11-14(15)21(3,4)5/h6-9,14H,10-11H2,1-5H3
InChIKeyUUOXLCYWYNSMMO-UHFFFAOYSA-N
MW328.51 g/mol
LogP3.06
Rot. Bonds6

About [1-[(4-methoxyphenyl)methyl]-2-trimethylsilylcyclopropyl] methanesulfonate

[1-[(4-methoxyphenyl)methyl]-2-trimethylsilylcyclopropyl] methanesulfonate (PubChem CID 87406439) has the molecular formula C15H24O4SSi and a molecular weight of 328.51 g/mol. Its IUPAC name is [1-[(4-methoxyphenyl)methyl]-2-trimethylsilylcyclopropyl] methanesulfonate.

Molecular Properties

Compound Name[1-[(4-methoxyphenyl)methyl]-2-trimethylsilylcyclopropyl] methanesulfonate
PubChem CID87406439
Molecular FormulaC15H24O4SSi
Molecular Weight328.51 g/mol
Exact Mass328.12
IUPAC Name[1-[(4-methoxyphenyl)methyl]-2-trimethylsilylcyclopropyl] methanesulfonate
SMILESCOc1ccc(CC2(OS(C)(=O)=O)CC2[Si](C)(C)C)cc1
InChIInChI=1S/C15H24O4SSi/c1-18-13-8-6-12(7-9-13)10-15(19-20(2,16)17)11-14(15)21(3,4)5/h6-9,14H,10-11H2,1-5H3
InChIKeyUUOXLCYWYNSMMO-UHFFFAOYSA-N
XLogP3.06
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.51
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze [1-[(4-methoxyphenyl)methyl]-2-trimethylsilylcyclopropyl] methanesulfonate 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-[(4-methoxyphenyl)methyl]-2-trimethylsilylcyclopropyl] methanesulfonate?
The IUPAC name of [1-[(4-methoxyphenyl)methyl]-2-trimethylsilylcyclopropyl] methanesulfonate (CID 87406439) is [1-[(4-methoxyphenyl)methyl]-2-trimethylsilylcyclopropyl] methanesulfonate.
What is the SMILES notation for [1-[(4-methoxyphenyl)methyl]-2-trimethylsilylcyclopropyl] methanesulfonate?
The canonical SMILES for [1-[(4-methoxyphenyl)methyl]-2-trimethylsilylcyclopropyl] methanesulfonate is COc1ccc(CC2(OS(C)(=O)=O)CC2[Si](C)(C)C)cc1.
What is the InChIKey of [1-[(4-methoxyphenyl)methyl]-2-trimethylsilylcyclopropyl] methanesulfonate?
The InChIKey is UUOXLCYWYNSMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4SSi/c1-18-13-8-6-12(7-9-13)10-15(19-20(2,16)17)11-14(15)21(3,4)5/h6-9,14H,10-11H2,1-5H3.
What are the key properties of [1-[(4-methoxyphenyl)methyl]-2-trimethylsilylcyclopropyl] methanesulfonate?
[1-[(4-methoxyphenyl)methyl]-2-trimethylsilylcyclopropyl] methanesulfonate has a molecular weight of 328.51 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methoxyphenyl)methyl]-2-trimethylsilylcyclopropyl] methanesulfonate is sourced from PubChem (CID 87406439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).