[1,2-di(cyclopenten-1-yl)-1-oxopropan-2-yl] prop-2-enoate

C16H20O3 — CID 67938353

IUPAC[1,2-di(cyclopenten-1-yl)-1-oxopropan-2-yl] prop-2-enoate
SMILESC=CC(=O)OC(C)(C(=O)C1=CCCC1)C1=CCCC1
InChIInChI=1S/C16H20O3/c1-3-14(17)19-16(2,13-10-6-7-11-13)15(18)12-8-4-5-9-12/h3,8,10H,1,4-7,9,11H2,2H3
InChIKeyHXYMZKMZIPOODI-UHFFFAOYSA-N
MW260.33 g/mol
LogP3.26
Rot. Bonds5

About [1,2-di(cyclopenten-1-yl)-1-oxopropan-2-yl] prop-2-enoate

[1,2-di(cyclopenten-1-yl)-1-oxopropan-2-yl] prop-2-enoate (PubChem CID 67938353) has the molecular formula C16H20O3 and a molecular weight of 260.33 g/mol. Its IUPAC name is [1,2-di(cyclopenten-1-yl)-1-oxopropan-2-yl] prop-2-enoate.

Molecular Properties

Compound Name[1,2-di(cyclopenten-1-yl)-1-oxopropan-2-yl] prop-2-enoate
PubChem CID67938353
Molecular FormulaC16H20O3
Molecular Weight260.33 g/mol
Exact Mass260.14
IUPAC Name[1,2-di(cyclopenten-1-yl)-1-oxopropan-2-yl] prop-2-enoate
SMILESC=CC(=O)OC(C)(C(=O)C1=CCCC1)C1=CCCC1
InChIInChI=1S/C16H20O3/c1-3-14(17)19-16(2,13-10-6-7-11-13)15(18)12-8-4-5-9-12/h3,8,10H,1,4-7,9,11H2,2H3
InChIKeyHXYMZKMZIPOODI-UHFFFAOYSA-N
XLogP3.26
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [1,2-di(cyclopenten-1-yl)-1-oxopropan-2-yl] prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(cyclohexen-1-yl)-1,2-di(cyclopenten-1-yl)-2-hydroxyethanone
CID 67914178
2-[1,1-di(cyclopenten-1-yl)ethyl]-2-(hydroxymethyl)propane-1,3-diol;prop-2-enoic acid
CID 70479524
1-(cyclohexen-1-yl)-2,2,3,3-tetramethylbutan-1-one
CID 130677283
tert-butyl prop-2-enoate;cyclopentatetracontane
CID 174869509
tert-butyl prop-2-enoate;cycloicosane
CID 174934602
tert-butyl prop-2-enoate;cyclononadecane
CID 174964635
potassium;tert-butyl prop-2-enoate;hydride
CID 174867410
[(Z,2S)-4-bromo-4-(cyclohexen-1-yl)but-3-en-2-yl] prop-2-enoate
CID 11358091
2-(cyclopenten-1-yl)-2-methylpropanal
CID 130025858
tert-butyl prop-2-enoate
CID 158231977
2,3,3-tri(prop-2-enoyloxy)butan-2-yl prop-2-enoate
CID 141152964
prop-2-enoic acid;prop-2-enyl cyclopentene-1-carboxylate
CID 66692212

Frequently Asked Questions

What is the IUPAC name of [1,2-di(cyclopenten-1-yl)-1-oxopropan-2-yl] prop-2-enoate?
The IUPAC name of [1,2-di(cyclopenten-1-yl)-1-oxopropan-2-yl] prop-2-enoate (CID 67938353) is [1,2-di(cyclopenten-1-yl)-1-oxopropan-2-yl] prop-2-enoate.
What is the SMILES notation for [1,2-di(cyclopenten-1-yl)-1-oxopropan-2-yl] prop-2-enoate?
The canonical SMILES for [1,2-di(cyclopenten-1-yl)-1-oxopropan-2-yl] prop-2-enoate is C=CC(=O)OC(C)(C(=O)C1=CCCC1)C1=CCCC1.
What is the InChIKey of [1,2-di(cyclopenten-1-yl)-1-oxopropan-2-yl] prop-2-enoate?
The InChIKey is HXYMZKMZIPOODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3/c1-3-14(17)19-16(2,13-10-6-7-11-13)15(18)12-8-4-5-9-12/h3,8,10H,1,4-7,9,11H2,2H3.
What are the key properties of [1,2-di(cyclopenten-1-yl)-1-oxopropan-2-yl] prop-2-enoate?
[1,2-di(cyclopenten-1-yl)-1-oxopropan-2-yl] prop-2-enoate has a molecular weight of 260.33 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1,2-di(cyclopenten-1-yl)-1-oxopropan-2-yl] prop-2-enoate is sourced from PubChem (CID 67938353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).