5-ethyltetradeca-4,6-diene

C16H30 — CID 91339198

IUPAC5-ethyltetradeca-4,6-diene
SMILESCCCC=C(C=CCCCCCCC)CC
InChIInChI=1S/C16H30/c1-4-7-9-10-11-12-13-15-16(6-3)14-8-5-2/h13-15H,4-12H2,1-3H3
InChIKeyBJEJWBUIEYSBPI-UHFFFAOYSA-N
MW222.42 g/mol
LogP6.04
Rot. Bonds10

About 5-ethyltetradeca-4,6-diene

5-ethyltetradeca-4,6-diene (PubChem CID 91339198) has the molecular formula C16H30 and a molecular weight of 222.42 g/mol. Its IUPAC name is 5-ethyltetradeca-4,6-diene.

Molecular Properties

Compound Name5-ethyltetradeca-4,6-diene
PubChem CID91339198
Molecular FormulaC16H30
Molecular Weight222.42 g/mol
Exact Mass222.23
IUPAC Name5-ethyltetradeca-4,6-diene
SMILESCCCC=C(C=CCCCCCCC)CC
InChIInChI=1S/C16H30/c1-4-7-9-10-11-12-13-15-16(6-3)14-8-5-2/h13-15H,4-12H2,1-3H3
InChIKeyBJEJWBUIEYSBPI-UHFFFAOYSA-N
XLogP6.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500222.42
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 5-ethyltetradeca-4,6-diene 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

5-ethylundeca-1,4,6-triene
CID 91313816
(9E,11E,12E,13E)-11,12-di(nonylidene)docosa-9,13-diene
CID 140635573
(E,2Z)-2-butylidenedec-3-enenitrile
CID 15893203
(Z)-tridec-4-ene
CID 5362712
(Z)-tridec-6-ene;(Z)-undec-4-ene
CID 161365587
henicosa-4,14-diene
CID 91309991
(24Z)-hexatriaconta-9,24-diene
CID 173127472
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710
(E)-docos-6-ene
CID 22172020
(Z)-docos-9-ene
CID 11690102

Frequently Asked Questions

What is the IUPAC name of 5-ethyltetradeca-4,6-diene?
The IUPAC name of 5-ethyltetradeca-4,6-diene (CID 91339198) is 5-ethyltetradeca-4,6-diene.
What is the SMILES notation for 5-ethyltetradeca-4,6-diene?
The canonical SMILES for 5-ethyltetradeca-4,6-diene is CCCC=C(C=CCCCCCCC)CC.
What is the InChIKey of 5-ethyltetradeca-4,6-diene?
The InChIKey is BJEJWBUIEYSBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30/c1-4-7-9-10-11-12-13-15-16(6-3)14-8-5-2/h13-15H,4-12H2,1-3H3.
What are the key properties of 5-ethyltetradeca-4,6-diene?
5-ethyltetradeca-4,6-diene has a molecular weight of 222.42 g/mol, XLogP of 6.04, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyltetradeca-4,6-diene is sourced from PubChem (CID 91339198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).