5-ethyldodec-4-ene

C14H28 — CID 123814834

IUPAC5-ethyldodec-4-ene
SMILESCCCC=C(CC)CCCCCCC
InChIInChI=1S/C14H28/c1-4-7-9-10-11-13-14(6-3)12-8-5-2/h12H,4-11,13H2,1-3H3
InChIKeyOKQGSQKREQKWGX-UHFFFAOYSA-N
MW196.38 g/mol
LogP5.48
Rot. Bonds9

About 5-ethyldodec-4-ene

5-ethyldodec-4-ene (PubChem CID 123814834) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 5-ethyldodec-4-ene.

Molecular Properties

Compound Name5-ethyldodec-4-ene
PubChem CID123814834
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name5-ethyldodec-4-ene
SMILESCCCC=C(CC)CCCCCCC
InChIInChI=1S/C14H28/c1-4-7-9-10-11-13-14(6-3)12-8-5-2/h12H,4-11,13H2,1-3H3
InChIKeyOKQGSQKREQKWGX-UHFFFAOYSA-N
XLogP5.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-ethyldodec-4-ene 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

(E)-5-ethyldec-4-ene
CID 173194379
6-ethyltridec-6-ene
CID 123238287
(Z)-7-ethyltetradec-7-ene
CID 134978641
(Z)-6-ethylundec-5-ene
CID 102395453
5-butylicos-4-ene
CID 54084142
(E)-5-butyltridec-4-ene
CID 12531554
5-ethyltetradec-5-ene
CID 54129215
(E)-3-ethyldec-2-en-1-ol
CID 118599698
(E)-3-ethyloct-2-en-1-ol
CID 13383767
(E)-2-pentylnon-2-en-1-ol
CID 87912407
(Z)-3-ethyl-N,N-dimethyloct-2-en-1-amine
CID 87744529
(Z)-5-ethyl-1-fluoronon-4-ene
CID 167034526

Frequently Asked Questions

What is the IUPAC name of 5-ethyldodec-4-ene?
The IUPAC name of 5-ethyldodec-4-ene (CID 123814834) is 5-ethyldodec-4-ene.
What is the SMILES notation for 5-ethyldodec-4-ene?
The canonical SMILES for 5-ethyldodec-4-ene is CCCC=C(CC)CCCCCCC.
What is the InChIKey of 5-ethyldodec-4-ene?
The InChIKey is OKQGSQKREQKWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-4-7-9-10-11-13-14(6-3)12-8-5-2/h12H,4-11,13H2,1-3H3.
What are the key properties of 5-ethyldodec-4-ene?
5-ethyldodec-4-ene has a molecular weight of 196.38 g/mol, XLogP of 5.48, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyldodec-4-ene is sourced from PubChem (CID 123814834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).