methyl (5R)-2-methyl-5-(2-oxohexyl)cyclopentene-1-carboxylate

C14H22O3 — CID 102064969

IUPACmethyl (5R)-2-methyl-5-(2-oxohexyl)cyclopentene-1-carboxylate
SMILESCCCCC(=O)C[C@H]1CCC(C)=C1C(=O)OC
InChIInChI=1S/C14H22O3/c1-4-5-6-12(15)9-11-8-7-10(2)13(11)14(16)17-3/h11H,4-9H2,1-3H3/t11-/m1/s1
InChIKeyVGMDKEWISNYMAX-LLVKDONJSA-N
MW238.33 g/mol
LogP3.04
Rot. Bonds6

About methyl (5R)-2-methyl-5-(2-oxohexyl)cyclopentene-1-carboxylate

methyl (5R)-2-methyl-5-(2-oxohexyl)cyclopentene-1-carboxylate (PubChem CID 102064969) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is methyl (5R)-2-methyl-5-(2-oxohexyl)cyclopentene-1-carboxylate.

Molecular Properties

Compound Namemethyl (5R)-2-methyl-5-(2-oxohexyl)cyclopentene-1-carboxylate
PubChem CID102064969
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Namemethyl (5R)-2-methyl-5-(2-oxohexyl)cyclopentene-1-carboxylate
SMILESCCCCC(=O)C[C@H]1CCC(C)=C1C(=O)OC
InChIInChI=1S/C14H22O3/c1-4-5-6-12(15)9-11-8-7-10(2)13(11)14(16)17-3/h11H,4-9H2,1-3H3/t11-/m1/s1
InChIKeyVGMDKEWISNYMAX-LLVKDONJSA-N
XLogP3.04
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (5R)-2-methyl-5-(2-oxohexyl)cyclopentene-1-carboxylate?
The IUPAC name of methyl (5R)-2-methyl-5-(2-oxohexyl)cyclopentene-1-carboxylate (CID 102064969) is methyl (5R)-2-methyl-5-(2-oxohexyl)cyclopentene-1-carboxylate.
What is the SMILES notation for methyl (5R)-2-methyl-5-(2-oxohexyl)cyclopentene-1-carboxylate?
The canonical SMILES for methyl (5R)-2-methyl-5-(2-oxohexyl)cyclopentene-1-carboxylate is CCCCC(=O)C[C@H]1CCC(C)=C1C(=O)OC.
What is the InChIKey of methyl (5R)-2-methyl-5-(2-oxohexyl)cyclopentene-1-carboxylate?
The InChIKey is VGMDKEWISNYMAX-LLVKDONJSA-N. The full InChI is InChI=1S/C14H22O3/c1-4-5-6-12(15)9-11-8-7-10(2)13(11)14(16)17-3/h11H,4-9H2,1-3H3/t11-/m1/s1.
What are the key properties of methyl (5R)-2-methyl-5-(2-oxohexyl)cyclopentene-1-carboxylate?
methyl (5R)-2-methyl-5-(2-oxohexyl)cyclopentene-1-carboxylate has a molecular weight of 238.33 g/mol, XLogP of 3.04, 6 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-(2-oxohexyl)cyclopentene-1-carboxylate is sourced from PubChem (CID 102064969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).