4-ethoxydodecan-5-ol

C14H30O2 — CID 116711346

IUPAC4-ethoxydodecan-5-ol
SMILESCCCCCCCC(O)C(CCC)OCC
InChIInChI=1S/C14H30O2/c1-4-7-8-9-10-12-13(15)14(11-5-2)16-6-3/h13-15H,4-12H2,1-3H3
InChIKeyNAKFTMAZRKXWCI-UHFFFAOYSA-N
MW230.39 g/mol
LogP3.91
Rot. Bonds11

About 4-ethoxydodecan-5-ol

4-ethoxydodecan-5-ol (PubChem CID 116711346) has the molecular formula C14H30O2 and a molecular weight of 230.39 g/mol. Its IUPAC name is 4-ethoxydodecan-5-ol.

Molecular Properties

Compound Name4-ethoxydodecan-5-ol
PubChem CID116711346
Molecular FormulaC14H30O2
Molecular Weight230.39 g/mol
Exact Mass230.22
IUPAC Name4-ethoxydodecan-5-ol
SMILESCCCCCCCC(O)C(CCC)OCC
InChIInChI=1S/C14H30O2/c1-4-7-8-9-10-12-13(15)14(11-5-2)16-6-3/h13-15H,4-12H2,1-3H3
InChIKeyNAKFTMAZRKXWCI-UHFFFAOYSA-N
XLogP3.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.39
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-ethoxydodecan-5-ol 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

pentadecane-4,5-diol
CID 103454846
nonacosane-14,15-diol
CID 91509633
3-ethoxy-2,2-dimethyldecan-4-ol
CID 116713288
4-ethoxy-N-methylpentadecan-5-amine
CID 116717810
3-methoxydodecan-4-ol
CID 116710713
4-ethoxydodecan-5-ylhydrazine
CID 105271332
4-ethoxynonane-1,2,3-triol
CID 174961473
bis[2-(10-hydroxytetracosan-9-yloxy)ethyl]-dimethylazanium
CID 157460176
(8S,9S,12R,13R)-icosane-8,9,12,13-tetrol
CID 88872017
3-ethoxy-2-methyldodecane
CID 78302637
4-methoxynonan-5-ol
CID 116711594
ethyl-tris[2-(10-hydroxydocosan-9-yloxy)ethyl]azanium chloride
CID 159783957

Frequently Asked Questions

What is the IUPAC name of 4-ethoxydodecan-5-ol?
The IUPAC name of 4-ethoxydodecan-5-ol (CID 116711346) is 4-ethoxydodecan-5-ol.
What is the SMILES notation for 4-ethoxydodecan-5-ol?
The canonical SMILES for 4-ethoxydodecan-5-ol is CCCCCCCC(O)C(CCC)OCC.
What is the InChIKey of 4-ethoxydodecan-5-ol?
The InChIKey is NAKFTMAZRKXWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30O2/c1-4-7-8-9-10-12-13(15)14(11-5-2)16-6-3/h13-15H,4-12H2,1-3H3.
What are the key properties of 4-ethoxydodecan-5-ol?
4-ethoxydodecan-5-ol has a molecular weight of 230.39 g/mol, XLogP of 3.91, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxydodecan-5-ol is sourced from PubChem (CID 116711346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).