6-ethylundeca-1,3,10-triene

C13H22 — CID 123197586

IUPAC6-ethylundeca-1,3,10-triene
SMILESC=CC=CCC(CC)CCCC=C
InChIInChI=1S/C13H22/c1-4-7-9-11-13(6-3)12-10-8-5-2/h4-5,7,9,13H,1-2,6,8,10-12H2,3H3
InChIKeyKNCQQFPWFLLSIF-UHFFFAOYSA-N
MW178.32 g/mol
LogP4.50
Rot. Bonds8

About 6-ethylundeca-1,3,10-triene

6-ethylundeca-1,3,10-triene (PubChem CID 123197586) has the molecular formula C13H22 and a molecular weight of 178.32 g/mol. Its IUPAC name is 6-ethylundeca-1,3,10-triene.

Molecular Properties

Compound Name6-ethylundeca-1,3,10-triene
PubChem CID123197586
Molecular FormulaC13H22
Molecular Weight178.32 g/mol
Exact Mass178.17
IUPAC Name6-ethylundeca-1,3,10-triene
SMILESC=CC=CCC(CC)CCCC=C
InChIInChI=1S/C13H22/c1-4-7-9-11-13(6-3)12-10-8-5-2/h4-5,7,9,13H,1-2,6,8,10-12H2,3H3
InChIKeyKNCQQFPWFLLSIF-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.32
LogP ≤ 54.50
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

6-ethyl-10-methyldodeca-1,3-diene
CID 154162767
11-ethyltrideca-1,3-diene
CID 163546682
6-ethyltridec-1-ene
CID 174048481
(4S)-4-ethyloct-1-ene
CID 129373406
8-ethylpentadec-1-ene
CID 91081893
10-ethyldocos-1-ene
CID 91804827
9-ethylhexadec-1-ene
CID 163949602
6-propyldec-1-ene
CID 22251175
6-[(2-methylpropan-2-yl)oxymethyl]oct-1-ene
CID 176971023
(2S)-2-ethylundec-10-en-1-ol
CID 170849034
8-ethyldodec-5-ene
CID 173018114
undeca-1,3-diene;undec-1-ene
CID 159743461

Frequently Asked Questions

What is the IUPAC name of 6-ethylundeca-1,3,10-triene?
The IUPAC name of 6-ethylundeca-1,3,10-triene (CID 123197586) is 6-ethylundeca-1,3,10-triene.
What is the SMILES notation for 6-ethylundeca-1,3,10-triene?
The canonical SMILES for 6-ethylundeca-1,3,10-triene is C=CC=CCC(CC)CCCC=C.
What is the InChIKey of 6-ethylundeca-1,3,10-triene?
The InChIKey is KNCQQFPWFLLSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22/c1-4-7-9-11-13(6-3)12-10-8-5-2/h4-5,7,9,13H,1-2,6,8,10-12H2,3H3.
What are the key properties of 6-ethylundeca-1,3,10-triene?
6-ethylundeca-1,3,10-triene has a molecular weight of 178.32 g/mol, XLogP of 4.50, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylundeca-1,3,10-triene is sourced from PubChem (CID 123197586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).