ethyl 2-trimethylstannylcyclopentene-1-carboxylate

C11H20O2Sn — CID 14201358

IUPACethyl 2-trimethylstannylcyclopentene-1-carboxylate
SMILESCCOC(=O)C1=C([Sn](C)(C)C)CCC1
InChIInChI=1S/C8H11O2.3CH3.Sn/c1-2-10-8(9)7-5-3-4-6-7;;;;/h2-5H2,1H3;3*1H3;
InChIKeyFGCLWWQXFJBVOE-UHFFFAOYSA-N
MW302.99 g/mol
LogP2.91
Rot. Bonds3

About ethyl 2-trimethylstannylcyclopentene-1-carboxylate

ethyl 2-trimethylstannylcyclopentene-1-carboxylate (PubChem CID 14201358) has the molecular formula C11H20O2Sn and a molecular weight of 302.99 g/mol. Its IUPAC name is ethyl 2-trimethylstannylcyclopentene-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-trimethylstannylcyclopentene-1-carboxylate
PubChem CID14201358
Molecular FormulaC11H20O2Sn
Molecular Weight302.99 g/mol
Exact Mass304.05
IUPAC Nameethyl 2-trimethylstannylcyclopentene-1-carboxylate
SMILESCCOC(=O)C1=C([Sn](C)(C)C)CCC1
InChIInChI=1S/C8H11O2.3CH3.Sn/c1-2-10-8(9)7-5-3-4-6-7;;;;/h2-5H2,1H3;3*1H3;
InChIKeyFGCLWWQXFJBVOE-UHFFFAOYSA-N
XLogP2.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.99
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethyl 2-trimethylstannylcyclopentene-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Geranyl hexanoate
CID 5365992
Hexanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (Z)-
CID 12571389
3-Butyl-4-methyl-furan-2(5h)-one
CID 14616858
2-Hexyl-3-methylmaleic anhydride
CID 11127184
3-Furancarboxylic acid, 5-ethyl-4,5-dihydro-2-methyl-, ethyl ester
CID 113476
3-Methyl-4-propyl-2,5-furandione
CID 580987
3-butyl-2(5H)-furanone
CID 11768654
Dihydrobovolide, (+-)-
CID 13192443
Ethyl 2-methylcyclopent-1-ene-1-carboxylate
CID 13416667
Pestalolide
CID 57342266
3-Methyl-4-pentylfuran-2,5-dione
CID 76319690
Pestalafuranone C
CID 139585320

Frequently Asked Questions

What is the IUPAC name of ethyl 2-trimethylstannylcyclopentene-1-carboxylate?
The IUPAC name of ethyl 2-trimethylstannylcyclopentene-1-carboxylate (CID 14201358) is ethyl 2-trimethylstannylcyclopentene-1-carboxylate.
What is the SMILES notation for ethyl 2-trimethylstannylcyclopentene-1-carboxylate?
The canonical SMILES for ethyl 2-trimethylstannylcyclopentene-1-carboxylate is CCOC(=O)C1=C([Sn](C)(C)C)CCC1.
What is the InChIKey of ethyl 2-trimethylstannylcyclopentene-1-carboxylate?
The InChIKey is FGCLWWQXFJBVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11O2.3CH3.Sn/c1-2-10-8(9)7-5-3-4-6-7;;;;/h2-5H2,1H3;3*1H3;.
What are the key properties of ethyl 2-trimethylstannylcyclopentene-1-carboxylate?
ethyl 2-trimethylstannylcyclopentene-1-carboxylate has a molecular weight of 302.99 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-trimethylstannylcyclopentene-1-carboxylate is sourced from PubChem (CID 14201358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).