2-methoxyethyl 2-[2-[(Z)-but-2-enyl]-4-oxocyclopentyl]acetate

C14H22O4 — CID 66766577

IUPAC2-methoxyethyl 2-[2-[(Z)-but-2-enyl]-4-oxocyclopentyl]acetate
SMILESC/C=C\CC1CC(=O)CC1CC(=O)OCCOC
InChIInChI=1S/C14H22O4/c1-3-4-5-11-8-13(15)9-12(11)10-14(16)18-7-6-17-2/h3-4,11-12H,5-10H2,1-2H3/b4-3-
InChIKeyDNENSNUDSVCVSY-ARJAWSKDSA-N
MW254.33 g/mol
LogP2.13
Rot. Bonds7

About 2-methoxyethyl 2-[2-[(Z)-but-2-enyl]-4-oxocyclopentyl]acetate

2-methoxyethyl 2-[2-[(Z)-but-2-enyl]-4-oxocyclopentyl]acetate (PubChem CID 66766577) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-methoxyethyl 2-[2-[(Z)-but-2-enyl]-4-oxocyclopentyl]acetate.

Molecular Properties

Compound Name2-methoxyethyl 2-[2-[(Z)-but-2-enyl]-4-oxocyclopentyl]acetate
PubChem CID66766577
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Name2-methoxyethyl 2-[2-[(Z)-but-2-enyl]-4-oxocyclopentyl]acetate
SMILESC/C=C\CC1CC(=O)CC1CC(=O)OCCOC
InChIInChI=1S/C14H22O4/c1-3-4-5-11-8-13(15)9-12(11)10-14(16)18-7-6-17-2/h3-4,11-12H,5-10H2,1-2H3/b4-3-
InChIKeyDNENSNUDSVCVSY-ARJAWSKDSA-N
XLogP2.13
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-methoxyethyl 2-[2-[(Z)-but-2-enyl]-4-oxocyclopentyl]acetate?
The IUPAC name of 2-methoxyethyl 2-[2-[(Z)-but-2-enyl]-4-oxocyclopentyl]acetate (CID 66766577) is 2-methoxyethyl 2-[2-[(Z)-but-2-enyl]-4-oxocyclopentyl]acetate.
What is the SMILES notation for 2-methoxyethyl 2-[2-[(Z)-but-2-enyl]-4-oxocyclopentyl]acetate?
The canonical SMILES for 2-methoxyethyl 2-[2-[(Z)-but-2-enyl]-4-oxocyclopentyl]acetate is C/C=C\CC1CC(=O)CC1CC(=O)OCCOC.
What is the InChIKey of 2-methoxyethyl 2-[2-[(Z)-but-2-enyl]-4-oxocyclopentyl]acetate?
The InChIKey is DNENSNUDSVCVSY-ARJAWSKDSA-N. The full InChI is InChI=1S/C14H22O4/c1-3-4-5-11-8-13(15)9-12(11)10-14(16)18-7-6-17-2/h3-4,11-12H,5-10H2,1-2H3/b4-3-.
What are the key properties of 2-methoxyethyl 2-[2-[(Z)-but-2-enyl]-4-oxocyclopentyl]acetate?
2-methoxyethyl 2-[2-[(Z)-but-2-enyl]-4-oxocyclopentyl]acetate has a molecular weight of 254.33 g/mol, XLogP of 2.13, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2-[2-[(Z)-but-2-enyl]-4-oxocyclopentyl]acetate is sourced from PubChem (CID 66766577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).