methyl 2-(2-oxo-3,4-dipropylcyclopent-3-en-1-yl)acetate

C14H22O3 — CID 101417802

IUPACmethyl 2-(2-oxo-3,4-dipropylcyclopent-3-en-1-yl)acetate
SMILESCCCC1=C(CCC)C(=O)C(CC(=O)OC)C1
InChIInChI=1S/C14H22O3/c1-4-6-10-8-11(9-13(15)17-3)14(16)12(10)7-5-2/h11H,4-9H2,1-3H3
InChIKeyAOPRHAPLYJGQET-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.04
Rot. Bonds6

About methyl 2-(2-oxo-3,4-dipropylcyclopent-3-en-1-yl)acetate

methyl 2-(2-oxo-3,4-dipropylcyclopent-3-en-1-yl)acetate (PubChem CID 101417802) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is methyl 2-(2-oxo-3,4-dipropylcyclopent-3-en-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-oxo-3,4-dipropylcyclopent-3-en-1-yl)acetate
PubChem CID101417802
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Namemethyl 2-(2-oxo-3,4-dipropylcyclopent-3-en-1-yl)acetate
SMILESCCCC1=C(CCC)C(=O)C(CC(=O)OC)C1
InChIInChI=1S/C14H22O3/c1-4-6-10-8-11(9-13(15)17-3)14(16)12(10)7-5-2/h11H,4-9H2,1-3H3
InChIKeyAOPRHAPLYJGQET-UHFFFAOYSA-N
XLogP3.04
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Cyclopentene-1-acetic acid, 3-oxo-2-pentyl-, methyl ester
CID 90634
methyl (7E)-7-[(2R)-2-octyl-5-oxocyclopent-3-en-1-ylidene]heptanoate
CID 9819074
methyl 7-[(1S,5E)-5-octylidene-4-oxocyclopent-2-en-1-yl]heptanoate
CID 44442765
methyl (1R,4E,8S)-5-methyl-9-oxo-8-prop-1-en-2-ylcyclodec-4-ene-1-carboxylate
CID 155558006
Methyl 3-acetoxy-2-pentyl-2-cyclopentene-1-acetate
CID 11737253
3-Cyclopentene-1-carboxylic acid, 4-methyl-2-oxo-3-pentyl-, methyl ester
CID 106876
tert-butyl 4-oxo-2,3,5,6,7,8-hexahydro-1H-naphthalene-2-carboxylate
CID 102378135
Methyl (7E)-7-[(2S)-2-octyl-5-oxocyclopent-3-en-1-ylidene]heptanoate
CID 9949566
methyl (4R,5R)-4,5-dimethyl-3-oxo-2,5,6,7-tetrahydro-1H-indene-4-carboxylate
CID 134970213
methyl (4S)-6-oxo-1,2,3,3a,4,5-hexahydroindene-4-carboxylate
CID 359547
methyl (4R,9aR)-1-acetyl-2-ethyl-3-oxo-3a,4,5,6,7,8,9,9a-octahydrocyclopenta[8]annulene-4-carboxylate
CID 376192
Callicarboric acid B
CID 171117719

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-oxo-3,4-dipropylcyclopent-3-en-1-yl)acetate?
The IUPAC name of methyl 2-(2-oxo-3,4-dipropylcyclopent-3-en-1-yl)acetate (CID 101417802) is methyl 2-(2-oxo-3,4-dipropylcyclopent-3-en-1-yl)acetate.
What is the SMILES notation for methyl 2-(2-oxo-3,4-dipropylcyclopent-3-en-1-yl)acetate?
The canonical SMILES for methyl 2-(2-oxo-3,4-dipropylcyclopent-3-en-1-yl)acetate is CCCC1=C(CCC)C(=O)C(CC(=O)OC)C1.
What is the InChIKey of methyl 2-(2-oxo-3,4-dipropylcyclopent-3-en-1-yl)acetate?
The InChIKey is AOPRHAPLYJGQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-4-6-10-8-11(9-13(15)17-3)14(16)12(10)7-5-2/h11H,4-9H2,1-3H3.
What are the key properties of methyl 2-(2-oxo-3,4-dipropylcyclopent-3-en-1-yl)acetate?
methyl 2-(2-oxo-3,4-dipropylcyclopent-3-en-1-yl)acetate has a molecular weight of 238.33 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-oxo-3,4-dipropylcyclopent-3-en-1-yl)acetate is sourced from PubChem (CID 101417802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).