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

C14H22O3Sn — CID 134875415

IUPACmethyl 4-oxo-1-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-ene-1-carboxylate
SMILESCOC(=O)C1(C/C=C(\C)[Sn](C)(C)C)C=CC(=O)C1
InChIInChI=1S/C11H13O3.3CH3.Sn/c1-3-4-6-11(10(13)14-2)7-5-9(12)8-11;;;;/h4-5,7H,6,8H2,1-2H3;3*1H3;
InChIKeyVILPETZADKFDKO-UHFFFAOYSA-N
MW357.04 g/mol
LogP2.89
Rot. Bonds4

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

methyl 4-oxo-1-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-ene-1-carboxylate (PubChem CID 134875415) has the molecular formula C14H22O3Sn and a molecular weight of 357.04 g/mol. Its IUPAC name is methyl 4-oxo-1-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-oxo-1-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-ene-1-carboxylate
PubChem CID134875415
Molecular FormulaC14H22O3Sn
Molecular Weight357.04 g/mol
Exact Mass358.06
IUPAC Namemethyl 4-oxo-1-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-ene-1-carboxylate
SMILESCOC(=O)C1(C/C=C(\C)[Sn](C)(C)C)C=CC(=O)C1
InChIInChI=1S/C11H13O3.3CH3.Sn/c1-3-4-6-11(10(13)14-2)7-5-9(12)8-11;;;;/h4-5,7H,6,8H2,1-2H3;3*1H3;
InChIKeyVILPETZADKFDKO-UHFFFAOYSA-N
XLogP2.89
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.04
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 5-oxocyclohex-3-ene-1-carboxylate
CID 12647064
methyl (Z)-7-[(1S,5E)-5-[(Z)-oct-5-enylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoate
CID 117990565
methyl (Z)-7-[(1S,5E)-4-oxo-5-propylidenecyclopent-2-en-1-yl]hept-5-enoate
CID 117990567
Methyl 2-(2-oxocyclopent-3-en-1-yl)acetate
CID 85886740
(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
methyl (1S)-5-oxocyclohex-3-ene-1-carboxylate
CID 124629852
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 2-ethenyl-4-oxo-1-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-ene-1-carboxylate
CID 134875416

Frequently Asked Questions

What is the IUPAC name of methyl 4-oxo-1-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-ene-1-carboxylate?
The IUPAC name of methyl 4-oxo-1-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-ene-1-carboxylate (CID 134875415) is methyl 4-oxo-1-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-ene-1-carboxylate.
What is the SMILES notation for methyl 4-oxo-1-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-ene-1-carboxylate?
The canonical SMILES for 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)C=CC(=O)C1.
What is the InChIKey of methyl 4-oxo-1-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-ene-1-carboxylate?
The InChIKey is VILPETZADKFDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13O3.3CH3.Sn/c1-3-4-6-11(10(13)14-2)7-5-9(12)8-11;;;;/h4-5,7H,6,8H2,1-2H3;3*1H3;.
What are the key properties of methyl 4-oxo-1-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-ene-1-carboxylate?
methyl 4-oxo-1-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-ene-1-carboxylate has a molecular weight of 357.04 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-oxo-1-[(E)-3-trimethylstannylbut-2-enyl]cyclopent-2-ene-1-carboxylate is sourced from PubChem (CID 134875415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).