methyl (E)-5-oxodec-2-enoate

C11H18O3 — CID 6441354

IUPACmethyl (E)-5-oxodec-2-enoate
SMILESCCCCCC(=O)C/C=C/C(=O)OC
InChIInChI=1S/C11H18O3/c1-3-4-5-7-10(12)8-6-9-11(13)14-2/h6,9H,3-5,7-8H2,1-2H3/b9-6+
InChIKeyLZZLATQXZPEVKD-RMKNXTFCSA-N
MW198.26 g/mol
LogP2.26
Rot. Bonds7

About methyl (E)-5-oxodec-2-enoate

methyl (E)-5-oxodec-2-enoate (PubChem CID 6441354) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is methyl (E)-5-oxodec-2-enoate.

Molecular Properties

Compound Namemethyl (E)-5-oxodec-2-enoate
PubChem CID6441354
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Namemethyl (E)-5-oxodec-2-enoate
SMILESCCCCCC(=O)C/C=C/C(=O)OC
InChIInChI=1S/C11H18O3/c1-3-4-5-7-10(12)8-6-9-11(13)14-2/h6,9H,3-5,7-8H2,1-2H3/b9-6+
InChIKeyLZZLATQXZPEVKD-RMKNXTFCSA-N
XLogP2.26
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl (E)-5-oxodec-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

Methyl 2-nonenoate
CID 5368076
Methyl dec-2-enoate
CID 81834
Methyl 2-decenoate
CID 5368064
2-Dodecenoic acid, methyl ester, (2E)-
CID 637723
Methyl (Z)-2-nonenoate
CID 5357388
9-Oxo-2-decenoic acid, (2E)-
CID 1713086
Nonenoic acid, methyl ester
CID 8136
cis-9-Oxo-2-decenoic acid
CID 1713084
10-Oxo-11-octadecen-13-olide
CID 9882599
(E)-Methyl 3-(3-oxocyclohex-1-en-1-yl)acrylate
CID 11423929
Methyl 2-undecenoate
CID 6429220
(2R)-2-[(E)-4-oxohenicos-2-enyl]-2,3-dihydropyran-6-one
CID 76311043

Frequently Asked Questions

What is the IUPAC name of methyl (E)-5-oxodec-2-enoate?
The IUPAC name of methyl (E)-5-oxodec-2-enoate (CID 6441354) is methyl (E)-5-oxodec-2-enoate.
What is the SMILES notation for methyl (E)-5-oxodec-2-enoate?
The canonical SMILES for methyl (E)-5-oxodec-2-enoate is CCCCCC(=O)C/C=C/C(=O)OC.
What is the InChIKey of methyl (E)-5-oxodec-2-enoate?
The InChIKey is LZZLATQXZPEVKD-RMKNXTFCSA-N. The full InChI is InChI=1S/C11H18O3/c1-3-4-5-7-10(12)8-6-9-11(13)14-2/h6,9H,3-5,7-8H2,1-2H3/b9-6+.
What are the key properties of methyl (E)-5-oxodec-2-enoate?
methyl (E)-5-oxodec-2-enoate has a molecular weight of 198.26 g/mol, XLogP of 2.26, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-5-oxodec-2-enoate is sourced from PubChem (CID 6441354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).