7-ethyldodecanoic acid

C14H28O2 — CID 5282689

IUPAC7-ethyldodecanoic acid
SMILESCCCCCC(CC)CCCCCC(=O)O
InChIInChI=1S/C14H28O2/c1-3-5-7-10-13(4-2)11-8-6-9-12-14(15)16/h13H,3-12H2,1-2H3,(H,15,16)
InChIKeyAFEHRLAIHHGYEJ-UHFFFAOYSA-N
MW228.38 g/mol
LogP4.63
Rot. Bonds11

About 7-ethyldodecanoic acid

7-ethyldodecanoic acid (PubChem CID 5282689) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is 7-ethyldodecanoic acid.

Molecular Properties

Compound Name7-ethyldodecanoic acid
PubChem CID5282689
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name7-ethyldodecanoic acid
SMILESCCCCCC(CC)CCCCCC(=O)O
InChIInChI=1S/C14H28O2/c1-3-5-7-10-13(4-2)11-8-6-9-12-14(15)16/h13H,3-12H2,1-2H3,(H,15,16)
InChIKeyAFEHRLAIHHGYEJ-UHFFFAOYSA-N
XLogP4.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 7-ethyldodecanoic 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

9-ethyloctadecanoic acid
CID 11045212
23-pentylpentatetracontanedioic acid
CID 141048477
10-hexyloctadecanoic acid
CID 91174619
azane;7-ethyloctadecanedioic acid
CID 173365453
6-ethylnonanoic acid
CID 19689071
5-ethyldecanedioic acid
CID 54495296
4-ethylicosanedioic acid;dihydrochloride
CID 89462723
9-ethyloctadec-12-enoic acid
CID 91579793
2-heptylundecan-1-ol;hexadecanoic acid
CID 175092135
decanedioic acid;bis(2-ethylhexan-1-ol)
CID 161114783
10-(aminomethyl)octadecanoic acid
CID 155144621
4-decyl-11-pentylnonadecanoic acid
CID 57279723

Frequently Asked Questions

What is the IUPAC name of 7-ethyldodecanoic acid?
The IUPAC name of 7-ethyldodecanoic acid (CID 5282689) is 7-ethyldodecanoic acid.
What is the SMILES notation for 7-ethyldodecanoic acid?
The canonical SMILES for 7-ethyldodecanoic acid is CCCCCC(CC)CCCCCC(=O)O.
What is the InChIKey of 7-ethyldodecanoic acid?
The InChIKey is AFEHRLAIHHGYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2/c1-3-5-7-10-13(4-2)11-8-6-9-12-14(15)16/h13H,3-12H2,1-2H3,(H,15,16).
What are the key properties of 7-ethyldodecanoic acid?
7-ethyldodecanoic acid has a molecular weight of 228.38 g/mol, XLogP of 4.63, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyldodecanoic acid is sourced from PubChem (CID 5282689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).