methyl 2-pentyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate

C13H24O2Si — CID 552559

IUPACmethyl 2-pentyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate
SMILESCCCCCC1=C([Si](C)(C)C)C1C(=O)OC
InChIInChI=1S/C13H24O2Si/c1-6-7-8-9-10-11(13(14)15-2)12(10)16(3,4)5/h11H,6-9H2,1-5H3
InChIKeyUORLLHQCUCQIJQ-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.54
Rot. Bonds6

About methyl 2-pentyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate

methyl 2-pentyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate (PubChem CID 552559) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is methyl 2-pentyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-pentyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate
PubChem CID552559
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Namemethyl 2-pentyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate
SMILESCCCCCC1=C([Si](C)(C)C)C1C(=O)OC
InChIInChI=1S/C13H24O2Si/c1-6-7-8-9-10-11(13(14)15-2)12(10)16(3,4)5/h11H,6-9H2,1-5H3
InChIKeyUORLLHQCUCQIJQ-UHFFFAOYSA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-pentyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate?
The IUPAC name of methyl 2-pentyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate (CID 552559) is methyl 2-pentyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate.
What is the SMILES notation for methyl 2-pentyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate?
The canonical SMILES for methyl 2-pentyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate is CCCCCC1=C([Si](C)(C)C)C1C(=O)OC.
What is the InChIKey of methyl 2-pentyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate?
The InChIKey is UORLLHQCUCQIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-6-7-8-9-10-11(13(14)15-2)12(10)16(3,4)5/h11H,6-9H2,1-5H3.
What are the key properties of methyl 2-pentyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate?
methyl 2-pentyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate has a molecular weight of 240.42 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-pentyl-3-trimethylsilylcycloprop-2-ene-1-carboxylate is sourced from PubChem (CID 552559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).