methyl 2-ethenyl-4-oxo-1-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-ene-1-carboxylate

C16H24O3Sn — CID 134875416

IUPACmethyl 2-ethenyl-4-oxo-1-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-ene-1-carboxylate
SMILESC=CC1=CC(=O)CC1(C/C=C(\C)[Sn](C)(C)C)C(=O)OC
InChIInChI=1S/C13H15O3.3CH3.Sn/c1-4-6-7-13(12(15)16-3)9-11(14)8-10(13)5-2;;;;/h5-6,8H,2,7,9H2,1,3H3;3*1H3;
InChIKeyFSXGHAYLYBZNJL-UHFFFAOYSA-N
MW383.08 g/mol
LogP3.44
Rot. Bonds5

About methyl 2-ethenyl-4-oxo-1-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-ene-1-carboxylate

methyl 2-ethenyl-4-oxo-1-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-ene-1-carboxylate (PubChem CID 134875416) has the molecular formula C16H24O3Sn and a molecular weight of 383.08 g/mol. Its IUPAC name is methyl 2-ethenyl-4-oxo-1-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethenyl-4-oxo-1-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-ene-1-carboxylate
PubChem CID134875416
Molecular FormulaC16H24O3Sn
Molecular Weight383.08 g/mol
Exact Mass384.07
IUPAC Namemethyl 2-ethenyl-4-oxo-1-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-ene-1-carboxylate
SMILESC=CC1=CC(=O)CC1(C/C=C(\C)[Sn](C)(C)C)C(=O)OC
InChIInChI=1S/C13H15O3.3CH3.Sn/c1-4-6-7-13(12(15)16-3)9-11(14)8-10(13)5-2;;;;/h5-6,8H,2,7,9H2,1,3H3;3*1H3;
InChIKeyFSXGHAYLYBZNJL-UHFFFAOYSA-N
XLogP3.44
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.08
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 2-ethenyl-4-oxo-1-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-ene-1-carboxylate with MolForge

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Related Compounds

Claviridenone F
CID 44575979
Claviridenone G
CID 44575980
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CID 75049123
methyl (Z)-7-[(1S,5E)-5-[(2E,5Z)-octa-2,5-dienylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate
CID 117990590
(1E,4S,10Z,13S)-13-methyl-4-[(Z)-pent-2-enyl]-5-oxabicyclo[11.3.0]hexadeca-1,10,14-triene-6,16-dione
CID 130467628
3,4-Dimethyl-4-acetoxymethylcyclopentenone
CID 13699648
methyl (1S)-1-methyl-2-[(2S,3Z,5E)-2-methylhepta-3,5-dienyl]-4-oxocyclopent-2-ene-1-carboxylate
CID 49831682
methyl 2-methyl-4-oxo-1-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-ene-1-carboxylate
CID 134875235
methyl 2-ethyl-4-oxo-1-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-ene-1-carboxylate
CID 134875277
methyl 4-oxo-2-propan-2-yl-1-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-ene-1-carboxylate
CID 134875325
methyl 4-oxo-1-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-ene-1-carboxylate
CID 134875415
methyl 2-ethenyl-4-oxo-1-[(E)-3-trimethylstannylbut-2-enyl]cyclohex-2-ene-1-carboxylate
CID 134875417

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethenyl-4-oxo-1-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-ene-1-carboxylate?
The IUPAC name of methyl 2-ethenyl-4-oxo-1-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-ene-1-carboxylate (CID 134875416) is methyl 2-ethenyl-4-oxo-1-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-ene-1-carboxylate.
What is the SMILES notation for methyl 2-ethenyl-4-oxo-1-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-ene-1-carboxylate?
The canonical SMILES for methyl 2-ethenyl-4-oxo-1-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-ene-1-carboxylate is C=CC1=CC(=O)CC1(C/C=C(\C)[Sn](C)(C)C)C(=O)OC.
What is the InChIKey of methyl 2-ethenyl-4-oxo-1-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-ene-1-carboxylate?
The InChIKey is FSXGHAYLYBZNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15O3.3CH3.Sn/c1-4-6-7-13(12(15)16-3)9-11(14)8-10(13)5-2;;;;/h5-6,8H,2,7,9H2,1,3H3;3*1H3;.
What are the key properties of methyl 2-ethenyl-4-oxo-1-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-ene-1-carboxylate?
methyl 2-ethenyl-4-oxo-1-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-ene-1-carboxylate has a molecular weight of 383.08 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethenyl-4-oxo-1-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-ene-1-carboxylate is sourced from PubChem (CID 134875416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).