methyl 2-(2-oxocyclopentyl)undec-10-enoate

C17H28O3 — CID 11680730

IUPACmethyl 2-(2-oxocyclopentyl)undec-10-enoate
SMILESC=CCCCCCCCC(C(=O)OC)C1CCCC1=O
InChIInChI=1S/C17H28O3/c1-3-4-5-6-7-8-9-11-15(17(19)20-2)14-12-10-13-16(14)18/h3,14-15H,1,4-13H2,2H3
InChIKeyJWWRRGNYMYHRMP-UHFFFAOYSA-N
MW280.41 g/mol
LogP4.06
Rot. Bonds10

About methyl 2-(2-oxocyclopentyl)undec-10-enoate

methyl 2-(2-oxocyclopentyl)undec-10-enoate (PubChem CID 11680730) has the molecular formula C17H28O3 and a molecular weight of 280.41 g/mol. Its IUPAC name is methyl 2-(2-oxocyclopentyl)undec-10-enoate.

Molecular Properties

Compound Namemethyl 2-(2-oxocyclopentyl)undec-10-enoate
PubChem CID11680730
Molecular FormulaC17H28O3
Molecular Weight280.41 g/mol
Exact Mass280.20
IUPAC Namemethyl 2-(2-oxocyclopentyl)undec-10-enoate
SMILESC=CCCCCCCCC(C(=O)OC)C1CCCC1=O
InChIInChI=1S/C17H28O3/c1-3-4-5-6-7-8-9-11-15(17(19)20-2)14-12-10-13-16(14)18/h3,14-15H,1,4-13H2,2H3
InChIKeyJWWRRGNYMYHRMP-UHFFFAOYSA-N
XLogP4.06
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-oxocyclopentyl)undec-10-enoate?
The IUPAC name of methyl 2-(2-oxocyclopentyl)undec-10-enoate (CID 11680730) is methyl 2-(2-oxocyclopentyl)undec-10-enoate.
What is the SMILES notation for methyl 2-(2-oxocyclopentyl)undec-10-enoate?
The canonical SMILES for methyl 2-(2-oxocyclopentyl)undec-10-enoate is C=CCCCCCCCC(C(=O)OC)C1CCCC1=O.
What is the InChIKey of methyl 2-(2-oxocyclopentyl)undec-10-enoate?
The InChIKey is JWWRRGNYMYHRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O3/c1-3-4-5-6-7-8-9-11-15(17(19)20-2)14-12-10-13-16(14)18/h3,14-15H,1,4-13H2,2H3.
What are the key properties of methyl 2-(2-oxocyclopentyl)undec-10-enoate?
methyl 2-(2-oxocyclopentyl)undec-10-enoate has a molecular weight of 280.41 g/mol, XLogP of 4.06, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-oxocyclopentyl)undec-10-enoate is sourced from PubChem (CID 11680730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).