2-[1-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]-2-oxoethyl]cyclopentyl]acetic acid

C15H22O6 — CID 58454439

IUPAC2-[1-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]-2-oxoethyl]cyclopentyl]acetic acid
SMILESC=C(C)C(=O)OCCOC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C15H22O6/c1-11(2)14(19)21-8-7-20-13(18)10-15(9-12(16)17)5-3-4-6-15/h1,3-10H2,2H3,(H,16,17)
InChIKeyAOEORBQAFSWRJN-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.07
Rot. Bonds8

About 2-[1-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 58454439) has the molecular formula C15H22O6 and a molecular weight of 298.33 g/mol. Its IUPAC name is 2-[1-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID58454439
Molecular FormulaC15H22O6
Molecular Weight298.33 g/mol
Exact Mass298.14
IUPAC Name2-[1-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]-2-oxoethyl]cyclopentyl]acetic acid
SMILESC=C(C)C(=O)OCCOC(=O)CC1(CC(=O)O)CCCC1
InChIInChI=1S/C15H22O6/c1-11(2)14(19)21-8-7-20-13(18)10-15(9-12(16)17)5-3-4-6-15/h1,3-10H2,2H3,(H,16,17)
InChIKeyAOEORBQAFSWRJN-UHFFFAOYSA-N
XLogP2.07
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]-2-oxoethyl]cyclopentyl]acetic acid (CID 58454439) is 2-[1-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]-2-oxoethyl]cyclopentyl]acetic acid is C=C(C)C(=O)OCCOC(=O)CC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is AOEORBQAFSWRJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O6/c1-11(2)14(19)21-8-7-20-13(18)10-15(9-12(16)17)5-3-4-6-15/h1,3-10H2,2H3,(H,16,17).
What are the key properties of 2-[1-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 298.33 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 58454439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).