methyl 2-cyclopent-2-en-1-yl-2-methylpropanoate

C10H16O2 — CID 10919705

IUPACmethyl 2-cyclopent-2-en-1-yl-2-methylpropanoate
SMILESCOC(=O)C(C)(C)C1C=CCC1
InChIInChI=1S/C10H16O2/c1-10(2,9(11)12-3)8-6-4-5-7-8/h4,6,8H,5,7H2,1-3H3
InChIKeySTKQTJPKPAHEMK-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.15
Rot. Bonds2

About methyl 2-cyclopent-2-en-1-yl-2-methylpropanoate

methyl 2-cyclopent-2-en-1-yl-2-methylpropanoate (PubChem CID 10919705) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is methyl 2-cyclopent-2-en-1-yl-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-cyclopent-2-en-1-yl-2-methylpropanoate
PubChem CID10919705
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Namemethyl 2-cyclopent-2-en-1-yl-2-methylpropanoate
SMILESCOC(=O)C(C)(C)C1C=CCC1
InChIInChI=1S/C10H16O2/c1-10(2,9(11)12-3)8-6-4-5-7-8/h4,6,8H,5,7H2,1-3H3
InChIKeySTKQTJPKPAHEMK-UHFFFAOYSA-N
XLogP2.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.15
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

azane;methyl 2-cyclopent-2-en-1-yl-2-methylpropanoate;osmium;bis(trifluoromethanesulfonic acid)
CID 10919704
3-cyclopent-2-en-1-yl-3-methylbutan-2-one
CID 13127866
dimethyl 2-acetyloxy-2-[(1R)-cyclopent-2-en-1-yl]propanedioate
CID 11821201
dimethyl 2-cyclopent-2-en-1-yl-2-pent-4-enylpropanedioate
CID 132553067
2-chloro-2-cyclopent-2-en-1-ylpropanoic acid
CID 155057251
dimethyl 2-cyclohex-2-en-1-yl-2-(3-methylbuta-1,2-dienyl)propanedioate
CID 12000438
methyl 2-[[(1S)-cyclohex-3-ene-1-carbonyl]amino]-2-methylpropanoate
CID 51873205
2-cyclohex-2-en-1-yl-2-methylpentan-3-one
CID 59350174
dimethyl 2-but-2-ynyl-2-cyclohex-2-en-1-ylpropanedioate
CID 101150599
3-butan-2-yloxy-2-cyclopent-2-en-1-yl-2-methyl-3-oxopropanoic acid
CID 70453874
methyl 2-[(2R)-1,2-dihydroanthracen-2-yl]-2-methylpropanoate
CID 132558192
2-(2-cyclopent-2-en-1-yl-3,3-dimethylbutan-2-yl)-2-hydroxy-3,3,4,4-tetramethylpentanoic acid
CID 91016735

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopent-2-en-1-yl-2-methylpropanoate?
The IUPAC name of methyl 2-cyclopent-2-en-1-yl-2-methylpropanoate (CID 10919705) is methyl 2-cyclopent-2-en-1-yl-2-methylpropanoate.
What is the SMILES notation for methyl 2-cyclopent-2-en-1-yl-2-methylpropanoate?
The canonical SMILES for methyl 2-cyclopent-2-en-1-yl-2-methylpropanoate is COC(=O)C(C)(C)C1C=CCC1.
What is the InChIKey of methyl 2-cyclopent-2-en-1-yl-2-methylpropanoate?
The InChIKey is STKQTJPKPAHEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-10(2,9(11)12-3)8-6-4-5-7-8/h4,6,8H,5,7H2,1-3H3.
What are the key properties of methyl 2-cyclopent-2-en-1-yl-2-methylpropanoate?
methyl 2-cyclopent-2-en-1-yl-2-methylpropanoate has a molecular weight of 168.24 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-cyclopent-2-en-1-yl-2-methylpropanoate is sourced from PubChem (CID 10919705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).