[2-ethyl-6-oxo-2-(prop-2-enoyloxymethyl)oct-7-enyl] prop-2-enoate

C17H24O5 — CID 90378076

IUPAC[2-ethyl-6-oxo-2-(prop-2-enoyloxymethyl)oct-7-enyl] prop-2-enoate
SMILESC=CC(=O)CCCC(CC)(COC(=O)C=C)COC(=O)C=C
InChIInChI=1S/C17H24O5/c1-5-14(18)10-9-11-17(8-4,12-21-15(19)6-2)13-22-16(20)7-3/h5-7H,1-3,8-13H2,4H3
InChIKeyDHXIIAZMRHGAHT-UHFFFAOYSA-N
MW308.37 g/mol
LogP2.77
Rot. Bonds12

About [2-ethyl-6-oxo-2-(prop-2-enoyloxymethyl)oct-7-enyl] prop-2-enoate

[2-ethyl-6-oxo-2-(prop-2-enoyloxymethyl)oct-7-enyl] prop-2-enoate (PubChem CID 90378076) has the molecular formula C17H24O5 and a molecular weight of 308.37 g/mol. Its IUPAC name is [2-ethyl-6-oxo-2-(prop-2-enoyloxymethyl)oct-7-enyl] prop-2-enoate.

Molecular Properties

Compound Name[2-ethyl-6-oxo-2-(prop-2-enoyloxymethyl)oct-7-enyl] prop-2-enoate
PubChem CID90378076
Molecular FormulaC17H24O5
Molecular Weight308.37 g/mol
Exact Mass308.16
IUPAC Name[2-ethyl-6-oxo-2-(prop-2-enoyloxymethyl)oct-7-enyl] prop-2-enoate
SMILESC=CC(=O)CCCC(CC)(COC(=O)C=C)COC(=O)C=C
InChIInChI=1S/C17H24O5/c1-5-14(18)10-9-11-17(8-4,12-21-15(19)6-2)13-22-16(20)7-3/h5-7H,1-3,8-13H2,4H3
InChIKeyDHXIIAZMRHGAHT-UHFFFAOYSA-N
XLogP2.77
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [2-ethyl-6-oxo-2-(prop-2-enoyloxymethyl)oct-7-enyl] 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 [2-ethyl-6-oxo-2-(prop-2-enoyloxymethyl)oct-7-enyl] prop-2-enoate?
The IUPAC name of [2-ethyl-6-oxo-2-(prop-2-enoyloxymethyl)oct-7-enyl] prop-2-enoate (CID 90378076) is [2-ethyl-6-oxo-2-(prop-2-enoyloxymethyl)oct-7-enyl] prop-2-enoate.
What is the SMILES notation for [2-ethyl-6-oxo-2-(prop-2-enoyloxymethyl)oct-7-enyl] prop-2-enoate?
The canonical SMILES for [2-ethyl-6-oxo-2-(prop-2-enoyloxymethyl)oct-7-enyl] prop-2-enoate is C=CC(=O)CCCC(CC)(COC(=O)C=C)COC(=O)C=C.
What is the InChIKey of [2-ethyl-6-oxo-2-(prop-2-enoyloxymethyl)oct-7-enyl] prop-2-enoate?
The InChIKey is DHXIIAZMRHGAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O5/c1-5-14(18)10-9-11-17(8-4,12-21-15(19)6-2)13-22-16(20)7-3/h5-7H,1-3,8-13H2,4H3.
What are the key properties of [2-ethyl-6-oxo-2-(prop-2-enoyloxymethyl)oct-7-enyl] prop-2-enoate?
[2-ethyl-6-oxo-2-(prop-2-enoyloxymethyl)oct-7-enyl] prop-2-enoate has a molecular weight of 308.37 g/mol, XLogP of 2.77, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethyl-6-oxo-2-(prop-2-enoyloxymethyl)oct-7-enyl] prop-2-enoate is sourced from PubChem (CID 90378076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).