2-(2-hydroxyethoxy)ethyl 2-(2-but-2-enyl-4-oxocyclopentyl)acetate

C15H24O5 — CID 91224338

IUPAC2-(2-hydroxyethoxy)ethyl 2-(2-but-2-enyl-4-oxocyclopentyl)acetate
SMILESCC=CCC1CC(=O)CC1CC(=O)OCCOCCO
InChIInChI=1S/C15H24O5/c1-2-3-4-12-9-14(17)10-13(12)11-15(18)20-8-7-19-6-5-16/h2-3,12-13,16H,4-11H2,1H3
InChIKeyFOCKYMSTALQTMM-UHFFFAOYSA-N
MW284.35 g/mol
LogP1.49
Rot. Bonds9

About 2-(2-hydroxyethoxy)ethyl 2-(2-but-2-enyl-4-oxocyclopentyl)acetate

2-(2-hydroxyethoxy)ethyl 2-(2-but-2-enyl-4-oxocyclopentyl)acetate (PubChem CID 91224338) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethyl 2-(2-but-2-enyl-4-oxocyclopentyl)acetate.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethyl 2-(2-but-2-enyl-4-oxocyclopentyl)acetate
PubChem CID91224338
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name2-(2-hydroxyethoxy)ethyl 2-(2-but-2-enyl-4-oxocyclopentyl)acetate
SMILESCC=CCC1CC(=O)CC1CC(=O)OCCOCCO
InChIInChI=1S/C15H24O5/c1-2-3-4-12-9-14(17)10-13(12)11-15(18)20-8-7-19-6-5-16/h2-3,12-13,16H,4-11H2,1H3
InChIKeyFOCKYMSTALQTMM-UHFFFAOYSA-N
XLogP1.49
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethyl 2-[2-[(Z)-but-2-enyl]-4-oxocyclopentyl]acetate
CID 66766577
prop-2-ynyl 2-(2-but-2-enyl-4-oxocyclopentyl)acetate
CID 54294812
2-[2-(2-but-2-enyl-4-oxocyclopentyl)acetyl]oxyethyl 2,6-dichloropyridine-4-carboxylate
CID 90978241
butane;2-[2-(2-hydroxyethoxy)ethoxy]ethyl butanoate
CID 88656845
12-O-[2-[2-[2-[12-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-12-oxododecanoyl]oxyethoxy]ethoxy]ethyl] 1-O-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] dodecanedioate
CID 102469729
6-O-[2-(2-hydroxyethoxy)ethyl] 1-O-(2-hydroxyethyl) hexanedioate
CID 87303267
2-(2-hydroxyethoxy)ethyl 6-oxoheptanoate
CID 118889300
2-[2-(2-hydroxyethoxy)ethoxy]ethyl (E)-octadec-9-enoate
CID 22179243
2-(2-hydroxyethoxy)ethyl but-3-enoate
CID 88640670
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl decanoate
CID 139595421
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl nonanoate
CID 139595493
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl nonanoate
CID 139594206

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethyl 2-(2-but-2-enyl-4-oxocyclopentyl)acetate?
The IUPAC name of 2-(2-hydroxyethoxy)ethyl 2-(2-but-2-enyl-4-oxocyclopentyl)acetate (CID 91224338) is 2-(2-hydroxyethoxy)ethyl 2-(2-but-2-enyl-4-oxocyclopentyl)acetate.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethyl 2-(2-but-2-enyl-4-oxocyclopentyl)acetate?
The canonical SMILES for 2-(2-hydroxyethoxy)ethyl 2-(2-but-2-enyl-4-oxocyclopentyl)acetate is CC=CCC1CC(=O)CC1CC(=O)OCCOCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)ethyl 2-(2-but-2-enyl-4-oxocyclopentyl)acetate?
The InChIKey is FOCKYMSTALQTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O5/c1-2-3-4-12-9-14(17)10-13(12)11-15(18)20-8-7-19-6-5-16/h2-3,12-13,16H,4-11H2,1H3.
What are the key properties of 2-(2-hydroxyethoxy)ethyl 2-(2-but-2-enyl-4-oxocyclopentyl)acetate?
2-(2-hydroxyethoxy)ethyl 2-(2-but-2-enyl-4-oxocyclopentyl)acetate has a molecular weight of 284.35 g/mol, XLogP of 1.49, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethyl 2-(2-but-2-enyl-4-oxocyclopentyl)acetate is sourced from PubChem (CID 91224338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).