1-adamantyl prop-2-enoate;2,2-di(cyclopenten-1-yloxy)ethyl prop-2-enoate

C28H38O6 — CID 129115763

IUPAC1-adamantyl prop-2-enoate;2,2-di(cyclopenten-1-yloxy)ethyl prop-2-enoate
SMILESC=CC(=O)OC12CC3CC(CC(C3)C1)C2.C=CC(=O)OCC(OC1=CCCC1)OC1=CCCC1
InChIInChI=1S/C15H20O4.C13H18O2/c1-2-14(16)17-11-15(18-12-7-3-4-8-12)19-13-9-5-6-10-13;1-2-12(14)15-13-6-9-3-10(7-13)5-11(4-9)8-13/h2,7,9,15H,1,3-6,8,10-11H2;2,9-11H,1,3-8H2
InChIKeyHFOCWCJYZSRNRJ-UHFFFAOYSA-N
MW470.61 g/mol
LogP5.89
Rot. Bonds9

About 1-adamantyl prop-2-enoate;2,2-di(cyclopenten-1-yloxy)ethyl prop-2-enoate

1-adamantyl prop-2-enoate;2,2-di(cyclopenten-1-yloxy)ethyl prop-2-enoate (PubChem CID 129115763) has the molecular formula C28H38O6 and a molecular weight of 470.61 g/mol. Its IUPAC name is 1-adamantyl prop-2-enoate;2,2-di(cyclopenten-1-yloxy)ethyl prop-2-enoate.

Molecular Properties

Compound Name1-adamantyl prop-2-enoate;2,2-di(cyclopenten-1-yloxy)ethyl prop-2-enoate
PubChem CID129115763
Molecular FormulaC28H38O6
Molecular Weight470.61 g/mol
Exact Mass470.27
IUPAC Name1-adamantyl prop-2-enoate;2,2-di(cyclopenten-1-yloxy)ethyl prop-2-enoate
SMILESC=CC(=O)OC12CC3CC(CC(C3)C1)C2.C=CC(=O)OCC(OC1=CCCC1)OC1=CCCC1
InChIInChI=1S/C15H20O4.C13H18O2/c1-2-14(16)17-11-15(18-12-7-3-4-8-12)19-13-9-5-6-10-13;1-2-12(14)15-13-6-9-3-10(7-13)5-11(4-9)8-13/h2,7,9,15H,1,3-6,8,10-11H2;2,9-11H,1,3-8H2
InChIKeyHFOCWCJYZSRNRJ-UHFFFAOYSA-N
XLogP5.89
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.61
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-adamantyl prop-2-enoate;2,2-di(cyclopenten-1-yloxy)ethyl 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

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl prop-2-enoate;2,2-di(cyclopenten-1-yloxy)ethyl prop-2-enoate?
The IUPAC name of 1-adamantyl prop-2-enoate;2,2-di(cyclopenten-1-yloxy)ethyl prop-2-enoate (CID 129115763) is 1-adamantyl prop-2-enoate;2,2-di(cyclopenten-1-yloxy)ethyl prop-2-enoate.
What is the SMILES notation for 1-adamantyl prop-2-enoate;2,2-di(cyclopenten-1-yloxy)ethyl prop-2-enoate?
The canonical SMILES for 1-adamantyl prop-2-enoate;2,2-di(cyclopenten-1-yloxy)ethyl prop-2-enoate is C=CC(=O)OC12CC3CC(CC(C3)C1)C2.C=CC(=O)OCC(OC1=CCCC1)OC1=CCCC1.
What is the InChIKey of 1-adamantyl prop-2-enoate;2,2-di(cyclopenten-1-yloxy)ethyl prop-2-enoate?
The InChIKey is HFOCWCJYZSRNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4.C13H18O2/c1-2-14(16)17-11-15(18-12-7-3-4-8-12)19-13-9-5-6-10-13;1-2-12(14)15-13-6-9-3-10(7-13)5-11(4-9)8-13/h2,7,9,15H,1,3-6,8,10-11H2;2,9-11H,1,3-8H2.
What are the key properties of 1-adamantyl prop-2-enoate;2,2-di(cyclopenten-1-yloxy)ethyl prop-2-enoate?
1-adamantyl prop-2-enoate;2,2-di(cyclopenten-1-yloxy)ethyl prop-2-enoate has a molecular weight of 470.61 g/mol, XLogP of 5.89, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl prop-2-enoate;2,2-di(cyclopenten-1-yloxy)ethyl prop-2-enoate is sourced from PubChem (CID 129115763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).