6-but-3-enylundec-5-ene

C15H28 — CID 175604852

IUPAC6-but-3-enylundec-5-ene
SMILESC=CCCC(=CCCCC)CCCCC
InChIInChI=1S/C15H28/c1-4-7-10-13-15(12-9-6-3)14-11-8-5-2/h6,13H,3-5,7-12,14H2,1-2H3
InChIKeyAWSSNPLGAYNEPE-UHFFFAOYSA-N
MW208.39 g/mol
LogP5.65
Rot. Bonds10

About 6-but-3-enylundec-5-ene

6-but-3-enylundec-5-ene (PubChem CID 175604852) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 6-but-3-enylundec-5-ene.

Molecular Properties

Compound Name6-but-3-enylundec-5-ene
PubChem CID175604852
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name6-but-3-enylundec-5-ene
SMILESC=CCCC(=CCCCC)CCCCC
InChIInChI=1S/C15H28/c1-4-7-10-13-15(12-9-6-3)14-11-8-5-2/h6,13H,3-5,7-12,14H2,1-2H3
InChIKeyAWSSNPLGAYNEPE-UHFFFAOYSA-N
XLogP5.65
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 ≤ 55.65
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

13-oct-7-enyltriaconta-1,13-diene
CID 123204509
28-hexylpentaconta-1,28-diene
CID 90932256
19-tetradecylideneheptatriaconta-1,28-diene
CID 173321921
dec-1-ene;dodec-1-ene;19-pentadecylideneheptatriaconta-1,28-diene;undec-1-ene
CID 173410314
7-but-3-enylheptadeca-1,7,16-triene
CID 56610542
5-butyldec-5-ene
CID 15367252
(5Z)-5-nonylidenenonadec-18-enal
CID 87998044
(Z)-6-ethylundec-5-ene
CID 102395453
5-butylicos-4-ene
CID 54084142
(E)-5-butyltridec-4-ene
CID 12531554
6-ethyltridec-6-ene
CID 123238287
5-ethylnona-1,5-diene
CID 54516473

Frequently Asked Questions

What is the IUPAC name of 6-but-3-enylundec-5-ene?
The IUPAC name of 6-but-3-enylundec-5-ene (CID 175604852) is 6-but-3-enylundec-5-ene.
What is the SMILES notation for 6-but-3-enylundec-5-ene?
The canonical SMILES for 6-but-3-enylundec-5-ene is C=CCCC(=CCCCC)CCCCC.
What is the InChIKey of 6-but-3-enylundec-5-ene?
The InChIKey is AWSSNPLGAYNEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-4-7-10-13-15(12-9-6-3)14-11-8-5-2/h6,13H,3-5,7-12,14H2,1-2H3.
What are the key properties of 6-but-3-enylundec-5-ene?
6-but-3-enylundec-5-ene has a molecular weight of 208.39 g/mol, XLogP of 5.65, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-3-enylundec-5-ene is sourced from PubChem (CID 175604852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).