(E)-2-(2-methoxyethyl)dec-2-enoic acid

C13H24O3 — CID 174791406

IUPAC(E)-2-(2-methoxyethyl)dec-2-enoic acid
SMILESCCCCCCC/C=C(\CCOC)C(=O)O
InChIInChI=1S/C13H24O3/c1-3-4-5-6-7-8-9-12(13(14)15)10-11-16-2/h9H,3-8,10-11H2,1-2H3,(H,14,15)/b12-9+
InChIKeyGJCZIUSXCXUVTJ-FMIVXFBMSA-N
MW228.33 g/mol
LogP3.39
Rot. Bonds10

About (E)-2-(2-methoxyethyl)dec-2-enoic acid

(E)-2-(2-methoxyethyl)dec-2-enoic acid (PubChem CID 174791406) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is (E)-2-(2-methoxyethyl)dec-2-enoic acid.

Molecular Properties

Compound Name(E)-2-(2-methoxyethyl)dec-2-enoic acid
PubChem CID174791406
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name(E)-2-(2-methoxyethyl)dec-2-enoic acid
SMILESCCCCCCC/C=C(\CCOC)C(=O)O
InChIInChI=1S/C13H24O3/c1-3-4-5-6-7-8-9-12(13(14)15)10-11-16-2/h9H,3-8,10-11H2,1-2H3,(H,14,15)/b12-9+
InChIKeyGJCZIUSXCXUVTJ-FMIVXFBMSA-N
XLogP3.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-2-(2-methoxyethyl)dec-2-enoic acid 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-octylundec-2-enoic acid
CID 87266721
(E)-2-octyldec-2-enoic acid
CID 87824483
2-octadecylidenebutanedioic acid
CID 141239026
2-(phosphonooxymethyl)henicos-2-enoic acid
CID 56986308
(Z)-2-methoxypentadec-2-enoic acid
CID 87404776
11,11-diethyl-2-octyltridec-2-enoic acid
CID 141205952
2-(aminooxymethyl)oct-2-enoic acid
CID 150263469
2-nonadecylidenepropanedioic acid
CID 19832661
2-(2-methylperoxyethyl)heptanoic acid;(Z)-2-(2-methylperoxyethyl)hept-2-enoic acid
CID 159019841
butyl acetate;2-methylhenicos-2-enoic acid
CID 174757296
2-methylhentriacont-2-enoic acid
CID 141160211
(Z)-2-methylnon-2-enoic acid
CID 19098031

Frequently Asked Questions

What is the IUPAC name of (E)-2-(2-methoxyethyl)dec-2-enoic acid?
The IUPAC name of (E)-2-(2-methoxyethyl)dec-2-enoic acid (CID 174791406) is (E)-2-(2-methoxyethyl)dec-2-enoic acid.
What is the SMILES notation for (E)-2-(2-methoxyethyl)dec-2-enoic acid?
The canonical SMILES for (E)-2-(2-methoxyethyl)dec-2-enoic acid is CCCCCCC/C=C(\CCOC)C(=O)O.
What is the InChIKey of (E)-2-(2-methoxyethyl)dec-2-enoic acid?
The InChIKey is GJCZIUSXCXUVTJ-FMIVXFBMSA-N. The full InChI is InChI=1S/C13H24O3/c1-3-4-5-6-7-8-9-12(13(14)15)10-11-16-2/h9H,3-8,10-11H2,1-2H3,(H,14,15)/b12-9+.
What are the key properties of (E)-2-(2-methoxyethyl)dec-2-enoic acid?
(E)-2-(2-methoxyethyl)dec-2-enoic acid has a molecular weight of 228.33 g/mol, XLogP of 3.39, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(2-methoxyethyl)dec-2-enoic acid is sourced from PubChem (CID 174791406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).