methyl 2-[(E)-but-2-enoxy]cyclopentene-1-carboxylate

C11H16O3 — CID 134859087

IUPACmethyl 2-[(E)-but-2-enoxy]cyclopentene-1-carboxylate
SMILESC/C=C/COC1=C(C(=O)OC)CCC1
InChIInChI=1S/C11H16O3/c1-3-4-8-14-10-7-5-6-9(10)11(12)13-2/h3-4H,5-8H2,1-2H3/b4-3+
InChIKeyLSRLHCJYPGYPIC-ONEGZZNKSA-N
MW196.25 g/mol
LogP2.19
Rot. Bonds4

About methyl 2-[(E)-but-2-enoxy]cyclopentene-1-carboxylate

methyl 2-[(E)-but-2-enoxy]cyclopentene-1-carboxylate (PubChem CID 134859087) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is methyl 2-[(E)-but-2-enoxy]cyclopentene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(E)-but-2-enoxy]cyclopentene-1-carboxylate
PubChem CID134859087
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Namemethyl 2-[(E)-but-2-enoxy]cyclopentene-1-carboxylate
SMILESC/C=C/COC1=C(C(=O)OC)CCC1
InChIInChI=1S/C11H16O3/c1-3-4-8-14-10-7-5-6-9(10)11(12)13-2/h3-4H,5-8H2,1-2H3/b4-3+
InChIKeyLSRLHCJYPGYPIC-ONEGZZNKSA-N
XLogP2.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Hexenyl hexanoate, (2E)-
CID 5352973
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
(5-oxocyclopenten-1-yl)methyl (E)-but-2-enoate
CID 10397387
3-Furancarboxylic acid, 5-ethyl-4,5-dihydro-2-methyl-, ethyl ester
CID 113476
Hex-2-enyl hexanoate
CID 92572
(2S)-4-dodec-11-enyl-2-methyl-2H-furan-5-one
CID 10801599
Manshurolide
CID 14527198
3-butyl-2(5H)-furanone
CID 11768654
1-Ethylhexyl propylphosphonofluoridoate
CID 6436647
5,9-Dimethyl-12-oxabicyclo[9.2.1]tetradeca-1(14),4,8-trien-13-one
CID 126219

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(E)-but-2-enoxy]cyclopentene-1-carboxylate?
The IUPAC name of methyl 2-[(E)-but-2-enoxy]cyclopentene-1-carboxylate (CID 134859087) is methyl 2-[(E)-but-2-enoxy]cyclopentene-1-carboxylate.
What is the SMILES notation for methyl 2-[(E)-but-2-enoxy]cyclopentene-1-carboxylate?
The canonical SMILES for methyl 2-[(E)-but-2-enoxy]cyclopentene-1-carboxylate is C/C=C/COC1=C(C(=O)OC)CCC1.
What is the InChIKey of methyl 2-[(E)-but-2-enoxy]cyclopentene-1-carboxylate?
The InChIKey is LSRLHCJYPGYPIC-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H16O3/c1-3-4-8-14-10-7-5-6-9(10)11(12)13-2/h3-4H,5-8H2,1-2H3/b4-3+.
What are the key properties of methyl 2-[(E)-but-2-enoxy]cyclopentene-1-carboxylate?
methyl 2-[(E)-but-2-enoxy]cyclopentene-1-carboxylate has a molecular weight of 196.25 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(E)-but-2-enoxy]cyclopentene-1-carboxylate is sourced from PubChem (CID 134859087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).