methyl 1-(2-ethenoxyethyl)-2-oxocyclopentane-1-carboxylate

C11H16O4 — CID 10584641

IUPACmethyl 1-(2-ethenoxyethyl)-2-oxocyclopentane-1-carboxylate
SMILESC=COCCC1(C(=O)OC)CCCC1=O
InChIInChI=1S/C11H16O4/c1-3-15-8-7-11(10(13)14-2)6-4-5-9(11)12/h3H,1,4-8H2,2H3
InChIKeyVBUYZMHOKSEYSP-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.45
Rot. Bonds5

About methyl 1-(2-ethenoxyethyl)-2-oxocyclopentane-1-carboxylate

methyl 1-(2-ethenoxyethyl)-2-oxocyclopentane-1-carboxylate (PubChem CID 10584641) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is methyl 1-(2-ethenoxyethyl)-2-oxocyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-ethenoxyethyl)-2-oxocyclopentane-1-carboxylate
PubChem CID10584641
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Namemethyl 1-(2-ethenoxyethyl)-2-oxocyclopentane-1-carboxylate
SMILESC=COCCC1(C(=O)OC)CCCC1=O
InChIInChI=1S/C11H16O4/c1-3-15-8-7-11(10(13)14-2)6-4-5-9(11)12/h3H,1,4-8H2,2H3
InChIKeyVBUYZMHOKSEYSP-UHFFFAOYSA-N
XLogP1.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl 1-(3-methylbut-3-enyl)-2-oxocyclopentane-1-carboxylate
CID 13346573
methyl 2-oxo-1-propylcyclopentane-1-carboxylate
CID 10535487
methyl (1R)-1-(3-methoxy-3-oxopropyl)-2-oxocyclopentane-1-carboxylate
CID 11593798
methyl 2-oxo-1-(3-oxopropyl)cyclohexane-1-carboxylate
CID 11806001
propyl 1-(2-acetyloxyethyl)-2-oxocyclopentane-1-carboxylate
CID 139990043
methyl (1R)-1-[(4-chlorophenyl)methyl]-2-oxocyclopentane-1-carboxylate
CID 7100553
methyl 2-oxo-1-prop-2-ynylcycloheptane-1-carboxylate
CID 121003047
methyl (1S)-1-benzyl-2-oxocyclohexane-1-carboxylate
CID 13267388
methyl 1-[(4-chlorophenyl)methyl]-2-oxocyclohexane-1-carboxylate
CID 5255758
methanol;prop-2-enyl 1-(2-acetyloxyethyl)-2-oxocyclopentane-1-carboxylate;prop-2-enyl 6a-methoxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan-3a-carboxylate
CID 158808466
ethyl 1-octyl-2-oxocyclopentane-1-carboxylate
CID 14921673
2-oxo-1-(2-propan-2-yloxyethyl)cyclohexane-1-carboxylic acid
CID 103574988

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-ethenoxyethyl)-2-oxocyclopentane-1-carboxylate?
The IUPAC name of methyl 1-(2-ethenoxyethyl)-2-oxocyclopentane-1-carboxylate (CID 10584641) is methyl 1-(2-ethenoxyethyl)-2-oxocyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-(2-ethenoxyethyl)-2-oxocyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-(2-ethenoxyethyl)-2-oxocyclopentane-1-carboxylate is C=COCCC1(C(=O)OC)CCCC1=O.
What is the InChIKey of methyl 1-(2-ethenoxyethyl)-2-oxocyclopentane-1-carboxylate?
The InChIKey is VBUYZMHOKSEYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-3-15-8-7-11(10(13)14-2)6-4-5-9(11)12/h3H,1,4-8H2,2H3.
What are the key properties of methyl 1-(2-ethenoxyethyl)-2-oxocyclopentane-1-carboxylate?
methyl 1-(2-ethenoxyethyl)-2-oxocyclopentane-1-carboxylate has a molecular weight of 212.24 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-ethenoxyethyl)-2-oxocyclopentane-1-carboxylate is sourced from PubChem (CID 10584641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).