methyl 2-[4-(methoxymethyl)-3-methyl-2-oxocyclopent-3-en-1-yl]acetate

C11H16O4 — CID 14338921

IUPACmethyl 2-[4-(methoxymethyl)-3-methyl-2-oxocyclopent-3-en-1-yl]acetate
SMILESCOCC1=C(C)C(=O)C(CC(=O)OC)C1
InChIInChI=1S/C11H16O4/c1-7-9(6-14-2)4-8(11(7)13)5-10(12)15-3/h8H,4-6H2,1-3H3
InChIKeyPGIFKTJMEAFASG-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.10
Rot. Bonds4

About methyl 2-[4-(methoxymethyl)-3-methyl-2-oxocyclopent-3-en-1-yl]acetate

methyl 2-[4-(methoxymethyl)-3-methyl-2-oxocyclopent-3-en-1-yl]acetate (PubChem CID 14338921) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is methyl 2-[4-(methoxymethyl)-3-methyl-2-oxocyclopent-3-en-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(methoxymethyl)-3-methyl-2-oxocyclopent-3-en-1-yl]acetate
PubChem CID14338921
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Namemethyl 2-[4-(methoxymethyl)-3-methyl-2-oxocyclopent-3-en-1-yl]acetate
SMILESCOCC1=C(C)C(=O)C(CC(=O)OC)C1
InChIInChI=1S/C11H16O4/c1-7-9(6-14-2)4-8(11(7)13)5-10(12)15-3/h8H,4-6H2,1-3H3
InChIKeyPGIFKTJMEAFASG-UHFFFAOYSA-N
XLogP1.10
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-ethyl-2-methyl-5-oxocyclopentene-1-carboxylate
CID 49840974
1-Cyclopentene-1-carboxylic acid, 2-methyl-3-oxo-4-pentyl-, ethyl ester
CID 9991799
Methyl 2-(3,4-dimethyl-2-oxo-1-cyclopent-3-enyl)acetate
CID 10997663
Dimethyl 4-ethylcyclopentene-1,2-dicarboxylate
CID 11469909
Methyl 2-(3,4-diethyl-2-oxocyclopent-3-en-1-yl)acetate
CID 14199208
Methyl 4-(2-methoxy-2-oxoethyl)-2-methyl-3-oxocyclopentene-1-carboxylate
CID 14199209
Methyl 2-(3,4-dimethyl-2-oxocyclopent-3-en-1-yl)propanoate
CID 101417804
Ditert-butyl 3-methyl-4-oxocyclopent-2-ene-1,2-dicarboxylate
CID 101904143
Ethyl 2-(2-ethoxy-2-oxoethyl)-3-oxocyclopentene-1-carboxylate
CID 121001322
Methyl 2-(acetoxymethyl)-4-oxocyclopent-2-ene-1-carboxylate
CID 129759589
Methyl 2-(acetoxymethyl)-4-oxocyclopent-1-ene-1-carboxylate
CID 129759670
Methyl 2-[3-(methoxymethyl)-4-methyl-2-oxocyclopent-3-en-1-yl]acetate
CID 353898

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(methoxymethyl)-3-methyl-2-oxocyclopent-3-en-1-yl]acetate?
The IUPAC name of methyl 2-[4-(methoxymethyl)-3-methyl-2-oxocyclopent-3-en-1-yl]acetate (CID 14338921) is methyl 2-[4-(methoxymethyl)-3-methyl-2-oxocyclopent-3-en-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-(methoxymethyl)-3-methyl-2-oxocyclopent-3-en-1-yl]acetate?
The canonical SMILES for methyl 2-[4-(methoxymethyl)-3-methyl-2-oxocyclopent-3-en-1-yl]acetate is COCC1=C(C)C(=O)C(CC(=O)OC)C1.
What is the InChIKey of methyl 2-[4-(methoxymethyl)-3-methyl-2-oxocyclopent-3-en-1-yl]acetate?
The InChIKey is PGIFKTJMEAFASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-7-9(6-14-2)4-8(11(7)13)5-10(12)15-3/h8H,4-6H2,1-3H3.
What are the key properties of methyl 2-[4-(methoxymethyl)-3-methyl-2-oxocyclopent-3-en-1-yl]acetate?
methyl 2-[4-(methoxymethyl)-3-methyl-2-oxocyclopent-3-en-1-yl]acetate has a molecular weight of 212.24 g/mol, XLogP of 1.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(methoxymethyl)-3-methyl-2-oxocyclopent-3-en-1-yl]acetate is sourced from PubChem (CID 14338921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).