11-ethyltrideca-1,3-diene

C15H28 — CID 163546682

IUPAC11-ethyltrideca-1,3-diene
SMILESC=CC=CCCCCCCC(CC)CC
InChIInChI=1S/C15H28/c1-4-7-8-9-10-11-12-13-14-15(5-2)6-3/h4,7-8,15H,1,5-6,9-14H2,2-3H3
InChIKeyFFPIPKRMPVKXIE-UHFFFAOYSA-N
MW208.39 g/mol
LogP5.51
Rot. Bonds10

About 11-ethyltrideca-1,3-diene

11-ethyltrideca-1,3-diene (PubChem CID 163546682) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 11-ethyltrideca-1,3-diene.

Molecular Properties

Compound Name11-ethyltrideca-1,3-diene
PubChem CID163546682
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name11-ethyltrideca-1,3-diene
SMILESC=CC=CCCCCCCC(CC)CC
InChIInChI=1S/C15H28/c1-4-7-8-9-10-11-12-13-14-15(5-2)6-3/h4,7-8,15H,1,5-6,9-14H2,2-3H3
InChIKeyFFPIPKRMPVKXIE-UHFFFAOYSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.51
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'}

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Related Compounds

11-methyldodeca-1,3-diene
CID 154156925
(15E)-octadeca-15,17-dien-9-amine
CID 87547455
(15E)-octadeca-15,17-dien-6-amine
CID 142684215
3-pentyltrideca-10,12-dienoic acid
CID 173172715
3-hexyldodeca-9,11-dienoic acid
CID 175194896
trimethyl-[(15E)-octadeca-15,17-dienyl]phosphanium
CID 101109490
(3E)-17,17-dimethoxyheptadeca-1,3-diene
CID 163205429
(3Z)-10,10-dimethoxydeca-1,3-diene
CID 163205940
(3E)-13,13-dimethoxytrideca-1,3-diene
CID 13111838
pentadeca-1,3,12-triene
CID 174048351
(3Z)-heptadeca-1,3,9-triene
CID 175589298
heptadeca-1,3,14-triene
CID 54251685

Frequently Asked Questions

What is the IUPAC name of 11-ethyltrideca-1,3-diene?
The IUPAC name of 11-ethyltrideca-1,3-diene (CID 163546682) is 11-ethyltrideca-1,3-diene.
What is the SMILES notation for 11-ethyltrideca-1,3-diene?
The canonical SMILES for 11-ethyltrideca-1,3-diene is C=CC=CCCCCCCC(CC)CC.
What is the InChIKey of 11-ethyltrideca-1,3-diene?
The InChIKey is FFPIPKRMPVKXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-4-7-8-9-10-11-12-13-14-15(5-2)6-3/h4,7-8,15H,1,5-6,9-14H2,2-3H3.
What are the key properties of 11-ethyltrideca-1,3-diene?
11-ethyltrideca-1,3-diene has a molecular weight of 208.39 g/mol, XLogP of 5.51, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11-ethyltrideca-1,3-diene is sourced from PubChem (CID 163546682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).