ethyl (Z)-3,5,10-trioxodec-6-enoate

C12H16O5 — CID 25195014

IUPACethyl (Z)-3,5,10-trioxodec-6-enoate
SMILESCCOC(=O)CC(=O)CC(=O)/C=C\CCC=O
InChIInChI=1S/C12H16O5/c1-2-17-12(16)9-11(15)8-10(14)6-4-3-5-7-13/h4,6-7H,2-3,5,8-9H2,1H3/b6-4-
InChIKeyYVWZUPAELBJZCK-XQRVVYSFSA-N
MW240.25 g/mol
LogP1.00
Rot. Bonds9

About ethyl (Z)-3,5,10-trioxodec-6-enoate

ethyl (Z)-3,5,10-trioxodec-6-enoate (PubChem CID 25195014) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is ethyl (Z)-3,5,10-trioxodec-6-enoate.

Molecular Properties

Compound Nameethyl (Z)-3,5,10-trioxodec-6-enoate
PubChem CID25195014
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Nameethyl (Z)-3,5,10-trioxodec-6-enoate
SMILESCCOC(=O)CC(=O)CC(=O)/C=C\CCC=O
InChIInChI=1S/C12H16O5/c1-2-17-12(16)9-11(15)8-10(14)6-4-3-5-7-13/h4,6-7H,2-3,5,8-9H2,1H3/b6-4-
InChIKeyYVWZUPAELBJZCK-XQRVVYSFSA-N
XLogP1.00
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl (Z)-3,5,10-trioxodec-6-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

diethyl (Z)-3,6-dioxooct-4-enedioate
CID 141136396
ethyl (E)-3,5-dioxo-7-phenylhept-6-enoate
CID 14222370
methyl (E)-6-oxohex-2-enoate
CID 11804854
ethyl (Z)-5-[(3-ethoxy-3-oxopropyl)amino]-3-oxopent-4-enoate
CID 131872737
diethyl propanedioate;ethane
CID 123991095
diethyl propanedioate;titanium
CID 174779178
ethyl 6-methyl-3,5-dioxoheptanoate
CID 162481991
ethyl 3-oxodec-9-enoate
CID 10036105
ethyl (4E)-7-methyl-3-oxoocta-4,6-dienoate
CID 10921455
(E)-6-oxopentadec-4-enal
CID 10988341
diethyl 3,16-dioxooctadecanedioate
CID 23533061
ethyl 6,6-difluoro-3,5-dioxohexanoate
CID 141484387

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3,5,10-trioxodec-6-enoate?
The IUPAC name of ethyl (Z)-3,5,10-trioxodec-6-enoate (CID 25195014) is ethyl (Z)-3,5,10-trioxodec-6-enoate.
What is the SMILES notation for ethyl (Z)-3,5,10-trioxodec-6-enoate?
The canonical SMILES for ethyl (Z)-3,5,10-trioxodec-6-enoate is CCOC(=O)CC(=O)CC(=O)/C=C\CCC=O.
What is the InChIKey of ethyl (Z)-3,5,10-trioxodec-6-enoate?
The InChIKey is YVWZUPAELBJZCK-XQRVVYSFSA-N. The full InChI is InChI=1S/C12H16O5/c1-2-17-12(16)9-11(15)8-10(14)6-4-3-5-7-13/h4,6-7H,2-3,5,8-9H2,1H3/b6-4-.
What are the key properties of ethyl (Z)-3,5,10-trioxodec-6-enoate?
ethyl (Z)-3,5,10-trioxodec-6-enoate has a molecular weight of 240.25 g/mol, XLogP of 1.00, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3,5,10-trioxodec-6-enoate is sourced from PubChem (CID 25195014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).