methyl (5R)-2-methyl-5-[(2S)-3-oxopentan-2-yl]cyclopentene-1-carboxylate

C13H20O3 — CID 102064968

IUPACmethyl (5R)-2-methyl-5-[(2S)-3-oxopentan-2-yl]cyclopentene-1-carboxylate
SMILESCCC(=O)[C@@H](C)[C@H]1CCC(C)=C1C(=O)OC
InChIInChI=1S/C13H20O3/c1-5-11(14)9(3)10-7-6-8(2)12(10)13(15)16-4/h9-10H,5-7H2,1-4H3/t9-,10+/m0/s1
InChIKeyYYBSUZMXKLFGHB-VHSXEESVSA-N
MW224.30 g/mol
LogP2.50
Rot. Bonds4

About methyl (5R)-2-methyl-5-[(2S)-3-oxopentan-2-yl]cyclopentene-1-carboxylate

methyl (5R)-2-methyl-5-[(2S)-3-oxopentan-2-yl]cyclopentene-1-carboxylate (PubChem CID 102064968) has the molecular formula C13H20O3 and a molecular weight of 224.30 g/mol. Its IUPAC name is methyl (5R)-2-methyl-5-[(2S)-3-oxopentan-2-yl]cyclopentene-1-carboxylate.

Molecular Properties

Compound Namemethyl (5R)-2-methyl-5-[(2S)-3-oxopentan-2-yl]cyclopentene-1-carboxylate
PubChem CID102064968
Molecular FormulaC13H20O3
Molecular Weight224.30 g/mol
Exact Mass224.14
IUPAC Namemethyl (5R)-2-methyl-5-[(2S)-3-oxopentan-2-yl]cyclopentene-1-carboxylate
SMILESCCC(=O)[C@@H](C)[C@H]1CCC(C)=C1C(=O)OC
InChIInChI=1S/C13H20O3/c1-5-11(14)9(3)10-7-6-8(2)12(10)13(15)16-4/h9-10H,5-7H2,1-4H3/t9-,10+/m0/s1
InChIKeyYYBSUZMXKLFGHB-VHSXEESVSA-N
XLogP2.50
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3aR,7aR)-2-acetyl-3a,6,7,7a-tetrahydro-1H-indene-4-carboxylate
CID 44419534
Methyl 2-methyl-4-oxo-6-pentylcyclohex-2-ene-1-carboxylate
CID 4420786
Methyl 2-(4-oxo-5-pentylcyclopent-2-en-1-yl)acetate
CID 14192511
methyl (4S)-4-[(2S)-6-methyl-4-oxohept-5-en-2-yl]-3-oxocyclohexene-1-carboxylate
CID 101636133
Serpendione
CID 10450072
Madolin I
CID 10848011
methyl (5R)-2-methyl-5-propan-2-ylcyclopentene-1-carboxylate
CID 11275401
methyl (4S)-4-[(2S)-6-methyl-4-oxoheptan-2-yl]-3-oxocyclohexene-1-carboxylate
CID 14702533
methyl (4R)-4-[(2S)-6-methyl-4-oxoheptan-2-yl]-3-oxocyclohexene-1-carboxylate
CID 14702534
methyl (4R)-4-[(2S)-6-methyl-4-oxohept-5-en-2-yl]-3-oxocyclohexene-1-carboxylate
CID 101636134
methyl 2-acetyl-3a,6,7,7a-tetrahydro-1H-indene-4-carboxylate
CID 162819211
methyl (4R)-4-[(2R)-6-methyl-4-oxoheptan-2-yl]-3-oxocyclohexene-1-carboxylate
CID 162971045

Frequently Asked Questions

What is the IUPAC name of methyl (5R)-2-methyl-5-[(2S)-3-oxopentan-2-yl]cyclopentene-1-carboxylate?
The IUPAC name of methyl (5R)-2-methyl-5-[(2S)-3-oxopentan-2-yl]cyclopentene-1-carboxylate (CID 102064968) is methyl (5R)-2-methyl-5-[(2S)-3-oxopentan-2-yl]cyclopentene-1-carboxylate.
What is the SMILES notation for methyl (5R)-2-methyl-5-[(2S)-3-oxopentan-2-yl]cyclopentene-1-carboxylate?
The canonical SMILES for methyl (5R)-2-methyl-5-[(2S)-3-oxopentan-2-yl]cyclopentene-1-carboxylate is CCC(=O)[C@@H](C)[C@H]1CCC(C)=C1C(=O)OC.
What is the InChIKey of methyl (5R)-2-methyl-5-[(2S)-3-oxopentan-2-yl]cyclopentene-1-carboxylate?
The InChIKey is YYBSUZMXKLFGHB-VHSXEESVSA-N. The full InChI is InChI=1S/C13H20O3/c1-5-11(14)9(3)10-7-6-8(2)12(10)13(15)16-4/h9-10H,5-7H2,1-4H3/t9-,10+/m0/s1.
What are the key properties of methyl (5R)-2-methyl-5-[(2S)-3-oxopentan-2-yl]cyclopentene-1-carboxylate?
methyl (5R)-2-methyl-5-[(2S)-3-oxopentan-2-yl]cyclopentene-1-carboxylate has a molecular weight of 224.30 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5R)-2-methyl-5-[(2S)-3-oxopentan-2-yl]cyclopentene-1-carboxylate is sourced from PubChem (CID 102064968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).