methyl 2-(4-acetyloxycyclopent-2-en-1-yl)acetate

C10H14O4 — CID 538040

IUPACmethyl 2-(4-acetyloxycyclopent-2-en-1-yl)acetate
SMILESCOC(=O)CC1C=CC(OC(C)=O)C1
InChIInChI=1S/C10H14O4/c1-7(11)14-9-4-3-8(5-9)6-10(12)13-2/h3-4,8-9H,5-6H2,1-2H3
InChIKeyNBYGGILDFDKLND-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.06
Rot. Bonds3

About methyl 2-(4-acetyloxycyclopent-2-en-1-yl)acetate

methyl 2-(4-acetyloxycyclopent-2-en-1-yl)acetate (PubChem CID 538040) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is methyl 2-(4-acetyloxycyclopent-2-en-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-acetyloxycyclopent-2-en-1-yl)acetate
PubChem CID538040
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Namemethyl 2-(4-acetyloxycyclopent-2-en-1-yl)acetate
SMILESCOC(=O)CC1C=CC(OC(C)=O)C1
InChIInChI=1S/C10H14O4/c1-7(11)14-9-4-3-8(5-9)6-10(12)13-2/h3-4,8-9H,5-6H2,1-2H3
InChIKeyNBYGGILDFDKLND-UHFFFAOYSA-N
XLogP1.06
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(1R)-4-hydroxycyclopent-2-en-1-yl] acetate
CID 90185782
[(1R,4S)-4-methylcyclopent-2-en-1-yl] acetate
CID 1277673
[(4R)-4-hydroxycyclopent-2-en-1-yl] acetate
CID 67767382
dimethyl (1S,2S,5S)-5-acetyloxycyclohex-3-ene-1,2-dicarboxylate
CID 11010573
[(1S,4R)-4-methoxycarbonyloxycyclopent-2-en-1-yl]methyl methyl carbonate
CID 10955368
methyl 2-[(3R,6S)-6-(2-oxopropyl)-3,6-dihydro-2H-pyran-3-yl]acetate
CID 11009241
[(1S,4S,5S)-4,5-diacetyloxycyclohex-2-en-1-yl] acetate
CID 125475095
[(1R,4R,5S)-4-acetyloxy-5-methylcyclohex-2-en-1-yl] acetate
CID 13377895
[(1R,4R)-4-acetyloxycyclopent-2-en-1-yl] 2,2-dimethylpropanoate
CID 12846337
(4-phenylmethoxycyclopent-2-en-1-yl) acetate
CID 22754072
[4-(1-methoxyethoxymethoxy)cyclopent-2-en-1-yl] acetate
CID 22216331
[(2E)-6,7-dihydroxy-4-methoxycarbonyloxycyclooct-2-en-1-yl] methyl carbonate
CID 90184256

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-acetyloxycyclopent-2-en-1-yl)acetate?
The IUPAC name of methyl 2-(4-acetyloxycyclopent-2-en-1-yl)acetate (CID 538040) is methyl 2-(4-acetyloxycyclopent-2-en-1-yl)acetate.
What is the SMILES notation for methyl 2-(4-acetyloxycyclopent-2-en-1-yl)acetate?
The canonical SMILES for methyl 2-(4-acetyloxycyclopent-2-en-1-yl)acetate is COC(=O)CC1C=CC(OC(C)=O)C1.
What is the InChIKey of methyl 2-(4-acetyloxycyclopent-2-en-1-yl)acetate?
The InChIKey is NBYGGILDFDKLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-7(11)14-9-4-3-8(5-9)6-10(12)13-2/h3-4,8-9H,5-6H2,1-2H3.
What are the key properties of methyl 2-(4-acetyloxycyclopent-2-en-1-yl)acetate?
methyl 2-(4-acetyloxycyclopent-2-en-1-yl)acetate has a molecular weight of 198.22 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-acetyloxycyclopent-2-en-1-yl)acetate is sourced from PubChem (CID 538040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).