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

C15H24O3Sn — CID 134875235

IUPACmethyl 2-methyl-4-oxo-1-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-ene-1-carboxylate
SMILESCOC(=O)C1(C/C=C(\C)[Sn](C)(C)C)CC(=O)C=C1C
InChIInChI=1S/C12H15O3.3CH3.Sn/c1-4-5-6-12(11(14)15-3)8-10(13)7-9(12)2;;;;/h5,7H,6,8H2,1-3H3;3*1H3;
InChIKeyPVMIRQPTMSRTKL-UHFFFAOYSA-N
MW371.07 g/mol
LogP3.28
Rot. Bonds4

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

methyl 2-methyl-4-oxo-1-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-ene-1-carboxylate (PubChem CID 134875235) has the molecular formula C15H24O3Sn and a molecular weight of 371.07 g/mol. Its IUPAC name is methyl 2-methyl-4-oxo-1-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-4-oxo-1-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-ene-1-carboxylate
PubChem CID134875235
Molecular FormulaC15H24O3Sn
Molecular Weight371.07 g/mol
Exact Mass372.07
IUPAC Namemethyl 2-methyl-4-oxo-1-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-ene-1-carboxylate
SMILESCOC(=O)C1(C/C=C(\C)[Sn](C)(C)C)CC(=O)C=C1C
InChIInChI=1S/C12H15O3.3CH3.Sn/c1-4-5-6-12(11(14)15-3)8-10(13)7-9(12)2;;;;/h5,7H,6,8H2,1-3H3;3*1H3;
InChIKeyPVMIRQPTMSRTKL-UHFFFAOYSA-N
XLogP3.28
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.07
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,2,3-Trimethyl-5-oxocyclopent-3-en-1-yl)acetate
CID 9542992
Ethyl 2-methyl-4-oxocyclopent-2-ene-1-carboxylate
CID 11332690
[(R)-2,2,3-trimethyl-2-oxocyclopent-3-en-1-yl]acetate
CID 57339248
(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
methyl (3aS,4R,7aS)-4-methyl-1-oxo-7,7a-dihydro-4H-indene-3a-carboxylate
CID 11550220
3,4-Dimethyl-4-acetoxymethylcyclopentenone
CID 13699648
5-(1-Acetoxyethyl)-3,5-dimethyl-2-cyclopenten-1-one
CID 129878529
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]cyclopent-2-ene-1-carboxylate
CID 134875416
methyl (1R,5S)-2,5-ditert-butyl-4-oxocyclopent-2-ene-1-carboxylate
CID 134922680

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-oxo-1-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-ene-1-carboxylate?
The IUPAC name of methyl 2-methyl-4-oxo-1-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-ene-1-carboxylate (CID 134875235) is methyl 2-methyl-4-oxo-1-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-ene-1-carboxylate.
What is the SMILES notation for methyl 2-methyl-4-oxo-1-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-ene-1-carboxylate?
The canonical SMILES for methyl 2-methyl-4-oxo-1-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-ene-1-carboxylate is COC(=O)C1(C/C=C(\C)[Sn](C)(C)C)CC(=O)C=C1C.
What is the InChIKey of methyl 2-methyl-4-oxo-1-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-ene-1-carboxylate?
The InChIKey is PVMIRQPTMSRTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15O3.3CH3.Sn/c1-4-5-6-12(11(14)15-3)8-10(13)7-9(12)2;;;;/h5,7H,6,8H2,1-3H3;3*1H3;.
What are the key properties of methyl 2-methyl-4-oxo-1-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-ene-1-carboxylate?
methyl 2-methyl-4-oxo-1-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-ene-1-carboxylate has a molecular weight of 371.07 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-oxo-1-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-ene-1-carboxylate is sourced from PubChem (CID 134875235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).