[(1S)-2-methylcyclopent-2-en-1-yl] butanoate

C10H16O2 — CID 67826097

IUPAC[(1S)-2-methylcyclopent-2-en-1-yl] butanoate
SMILESCCCC(=O)O[C@H]1CCC=C1C
InChIInChI=1S/C10H16O2/c1-3-5-10(11)12-9-7-4-6-8(9)2/h6,9H,3-5,7H2,1-2H3/t9-/m0/s1
InChIKeyUJJWRUCMZRGTLU-VIFPVBQESA-N
MW168.24 g/mol
LogP2.44
Rot. Bonds3

About [(1S)-2-methylcyclopent-2-en-1-yl] butanoate

[(1S)-2-methylcyclopent-2-en-1-yl] butanoate (PubChem CID 67826097) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is [(1S)-2-methylcyclopent-2-en-1-yl] butanoate.

Molecular Properties

Compound Name[(1S)-2-methylcyclopent-2-en-1-yl] butanoate
PubChem CID67826097
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Name[(1S)-2-methylcyclopent-2-en-1-yl] butanoate
SMILESCCCC(=O)O[C@H]1CCC=C1C
InChIInChI=1S/C10H16O2/c1-3-5-10(11)12-9-7-4-6-8(9)2/h6,9H,3-5,7H2,1-2H3/t9-/m0/s1
InChIKeyUJJWRUCMZRGTLU-VIFPVBQESA-N
XLogP2.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.44
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

copper;cyclohexyl butanoate
CID 67654151
ethyl (2R)-2-hydroxy-2-[(1R)-2-methylcyclohex-2-en-1-yl]acetate
CID 101358283
magnesium;cyclohexyl butanoate;hydride
CID 174620917
potassium;cyclohexyl butanoate;hydride
CID 174359508
strontium;cyclohexyl butanoate;hydride
CID 173148532
triethyl-[(1R)-2-methylcyclopent-2-en-1-yl]oxysilane
CID 10680073
[(1S,5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-yl] hexanoate
CID 137392250
(2-methylcyclohex-2-en-1-yl) 2-phenylacetate;propan-2-ol
CID 142509256
[(1S,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl] undecanoate
CID 50943567
(5,5-dimethyl-2-oxocyclohex-3-en-1-yl) butanoate
CID 18320264
ethyl (2S,4R)-4-butanoyloxy-5-phenyl-3,4-dihydro-2H-pyrrole-2-carboxylate
CID 101023452
ethyl 2-methylcyclohex-2-ene-1-carboxylate
CID 10397194

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-methylcyclopent-2-en-1-yl] butanoate?
The IUPAC name of [(1S)-2-methylcyclopent-2-en-1-yl] butanoate (CID 67826097) is [(1S)-2-methylcyclopent-2-en-1-yl] butanoate.
What is the SMILES notation for [(1S)-2-methylcyclopent-2-en-1-yl] butanoate?
The canonical SMILES for [(1S)-2-methylcyclopent-2-en-1-yl] butanoate is CCCC(=O)O[C@H]1CCC=C1C.
What is the InChIKey of [(1S)-2-methylcyclopent-2-en-1-yl] butanoate?
The InChIKey is UJJWRUCMZRGTLU-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16O2/c1-3-5-10(11)12-9-7-4-6-8(9)2/h6,9H,3-5,7H2,1-2H3/t9-/m0/s1.
What are the key properties of [(1S)-2-methylcyclopent-2-en-1-yl] butanoate?
[(1S)-2-methylcyclopent-2-en-1-yl] butanoate has a molecular weight of 168.24 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-methylcyclopent-2-en-1-yl] butanoate is sourced from PubChem (CID 67826097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).