methyl 2-(trimethylsilylmethyl)cyclopentene-1-carboxylate

C11H20O2Si — CID 11117369

IUPACmethyl 2-(trimethylsilylmethyl)cyclopentene-1-carboxylate
SMILESCOC(=O)C1=C(C[Si](C)(C)C)CCC1
InChIInChI=1S/C11H20O2Si/c1-13-11(12)10-7-5-6-9(10)8-14(2,3)4/h5-8H2,1-4H3
InChIKeyAESIFERDVIDONV-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.98
Rot. Bonds3

About methyl 2-(trimethylsilylmethyl)cyclopentene-1-carboxylate

methyl 2-(trimethylsilylmethyl)cyclopentene-1-carboxylate (PubChem CID 11117369) has the molecular formula C11H20O2Si and a molecular weight of 212.36 g/mol. Its IUPAC name is methyl 2-(trimethylsilylmethyl)cyclopentene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(trimethylsilylmethyl)cyclopentene-1-carboxylate
PubChem CID11117369
Molecular FormulaC11H20O2Si
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Namemethyl 2-(trimethylsilylmethyl)cyclopentene-1-carboxylate
SMILESCOC(=O)C1=C(C[Si](C)(C)C)CCC1
InChIInChI=1S/C11H20O2Si/c1-13-11(12)10-7-5-6-9(10)8-14(2,3)4/h5-8H2,1-4H3
InChIKeyAESIFERDVIDONV-UHFFFAOYSA-N
XLogP2.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(trimethylsilylmethyl)cyclopentene-1-carboxylate?
The IUPAC name of methyl 2-(trimethylsilylmethyl)cyclopentene-1-carboxylate (CID 11117369) is methyl 2-(trimethylsilylmethyl)cyclopentene-1-carboxylate.
What is the SMILES notation for methyl 2-(trimethylsilylmethyl)cyclopentene-1-carboxylate?
The canonical SMILES for methyl 2-(trimethylsilylmethyl)cyclopentene-1-carboxylate is COC(=O)C1=C(C[Si](C)(C)C)CCC1.
What is the InChIKey of methyl 2-(trimethylsilylmethyl)cyclopentene-1-carboxylate?
The InChIKey is AESIFERDVIDONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2Si/c1-13-11(12)10-7-5-6-9(10)8-14(2,3)4/h5-8H2,1-4H3.
What are the key properties of methyl 2-(trimethylsilylmethyl)cyclopentene-1-carboxylate?
methyl 2-(trimethylsilylmethyl)cyclopentene-1-carboxylate has a molecular weight of 212.36 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(trimethylsilylmethyl)cyclopentene-1-carboxylate is sourced from PubChem (CID 11117369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).