6-ethyltridec-6-ene

C15H30 — CID 123238287

IUPAC6-ethyltridec-6-ene
SMILESCCCCCCC=C(CC)CCCCC
InChIInChI=1S/C15H30/c1-4-7-9-10-12-14-15(6-3)13-11-8-5-2/h14H,4-13H2,1-3H3
InChIKeyOZMXMFQADYYJJJ-UHFFFAOYSA-N
MW210.40 g/mol
LogP5.87
Rot. Bonds10

About 6-ethyltridec-6-ene

6-ethyltridec-6-ene (PubChem CID 123238287) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is 6-ethyltridec-6-ene.

Molecular Properties

Compound Name6-ethyltridec-6-ene
PubChem CID123238287
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Name6-ethyltridec-6-ene
SMILESCCCCCCC=C(CC)CCCCC
InChIInChI=1S/C15H30/c1-4-7-9-10-12-14-15(6-3)13-11-8-5-2/h14H,4-13H2,1-3H3
InChIKeyOZMXMFQADYYJJJ-UHFFFAOYSA-N
XLogP5.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.87
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'}

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Related Compounds

(Z)-7-ethyltetradec-7-ene
CID 134978641
5-ethyltetradec-5-ene
CID 54129215
(Z)-6-ethylundec-5-ene
CID 102395453
5-ethyldodec-4-ene
CID 123814834
(E)-5-ethyldec-4-ene
CID 173194379
(E)-2-pentylnon-2-en-1-ol
CID 87912407
(Z)-2-ethyldec-2-en-1-ol
CID 13479207
(E)-3-ethyldec-2-en-1-ol
CID 118599698
13-oct-7-enyltriaconta-1,13-diene
CID 123204509
(E)-6-butylpentadec-6-en-1-ol
CID 10265818
28-hexylpentaconta-1,28-diene
CID 90932256
(E)-5-butyltridec-4-ene
CID 12531554

Frequently Asked Questions

What is the IUPAC name of 6-ethyltridec-6-ene?
The IUPAC name of 6-ethyltridec-6-ene (CID 123238287) is 6-ethyltridec-6-ene.
What is the SMILES notation for 6-ethyltridec-6-ene?
The canonical SMILES for 6-ethyltridec-6-ene is CCCCCCC=C(CC)CCCCC.
What is the InChIKey of 6-ethyltridec-6-ene?
The InChIKey is OZMXMFQADYYJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30/c1-4-7-9-10-12-14-15(6-3)13-11-8-5-2/h14H,4-13H2,1-3H3.
What are the key properties of 6-ethyltridec-6-ene?
6-ethyltridec-6-ene has a molecular weight of 210.40 g/mol, XLogP of 5.87, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyltridec-6-ene is sourced from PubChem (CID 123238287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).