ethyl 2-(5,5-dimethylcyclopent-2-en-1-yl)acetate

C11H18O2 — CID 142858337

IUPACethyl 2-(5,5-dimethylcyclopent-2-en-1-yl)acetate
SMILESCCOC(=O)CC1C=CCC1(C)C
InChIInChI=1S/C11H18O2/c1-4-13-10(12)8-9-6-5-7-11(9,2)3/h5-6,9H,4,7-8H2,1-3H3
InChIKeyQRWUOIPAMHGGKU-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.54
Rot. Bonds3

About ethyl 2-(5,5-dimethylcyclopent-2-en-1-yl)acetate

ethyl 2-(5,5-dimethylcyclopent-2-en-1-yl)acetate (PubChem CID 142858337) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is ethyl 2-(5,5-dimethylcyclopent-2-en-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(5,5-dimethylcyclopent-2-en-1-yl)acetate
PubChem CID142858337
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Nameethyl 2-(5,5-dimethylcyclopent-2-en-1-yl)acetate
SMILESCCOC(=O)CC1C=CCC1(C)C
InChIInChI=1S/C11H18O2/c1-4-13-10(12)8-9-6-5-7-11(9,2)3/h5-6,9H,4,7-8H2,1-3H3
InChIKeyQRWUOIPAMHGGKU-UHFFFAOYSA-N
XLogP2.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(1R,6R)-6-(2-ethoxy-2-oxoethyl)cyclohex-3-en-1-yl]acetate
CID 11097129
ethyl 2-(4,4-dimethylcyclohexyl)acetate
CID 23001036
ethyl 2-(2,2,4-trimethylcyclopentyl)acetate
CID 54404876
ethane;ethyl 2-(5-methylcyclopent-2-en-1-yl)acetate
CID 142858342
ethyl 2-(2,2,6,6-tetramethyloxan-4-yl)acetate
CID 54474466
ethyl 2-hydroxy-2,6,6-trimethylcyclohex-3-ene-1-carboxylate
CID 21430990
ethyl 2-[1-(2-ethoxy-2-oxoethyl)cyclobutyl]acetate
CID 12530959
ethyl 2-[(3aR,4R,6R,6aS)-4-hydroxy-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]acetate
CID 14258042
ethyl 2-(3,3-dimethylpiperidin-4-yl)acetate;hydrochloride
CID 132992939
ethyl 2-(4,5-dihydro-1,3-thiazol-4-yl)acetate
CID 143766962
ethyl 2-(1-hydroxy-5,5-dimethylcyclopent-2-en-1-yl)acetate
CID 15749040
ethyl 2-[(4-ethylcyclohexyl)methylamino]acetate
CID 55025429

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5,5-dimethylcyclopent-2-en-1-yl)acetate?
The IUPAC name of ethyl 2-(5,5-dimethylcyclopent-2-en-1-yl)acetate (CID 142858337) is ethyl 2-(5,5-dimethylcyclopent-2-en-1-yl)acetate.
What is the SMILES notation for ethyl 2-(5,5-dimethylcyclopent-2-en-1-yl)acetate?
The canonical SMILES for ethyl 2-(5,5-dimethylcyclopent-2-en-1-yl)acetate is CCOC(=O)CC1C=CCC1(C)C.
What is the InChIKey of ethyl 2-(5,5-dimethylcyclopent-2-en-1-yl)acetate?
The InChIKey is QRWUOIPAMHGGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-4-13-10(12)8-9-6-5-7-11(9,2)3/h5-6,9H,4,7-8H2,1-3H3.
What are the key properties of ethyl 2-(5,5-dimethylcyclopent-2-en-1-yl)acetate?
ethyl 2-(5,5-dimethylcyclopent-2-en-1-yl)acetate has a molecular weight of 182.26 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5,5-dimethylcyclopent-2-en-1-yl)acetate is sourced from PubChem (CID 142858337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).