(E)-5-butyltridec-4-ene

C17H34 — CID 12531554

IUPAC(E)-5-butyltridec-4-ene
SMILESCCC/C=C(\CCCC)CCCCCCCC
InChIInChI=1S/C17H34/c1-4-7-10-11-12-13-16-17(14-8-5-2)15-9-6-3/h14H,4-13,15-16H2,1-3H3/b17-14+
InChIKeyKQOYKNPZZWEDRY-SAPNQHFASA-N
MW238.46 g/mol
LogP6.65
Rot. Bonds12

About (E)-5-butyltridec-4-ene

(E)-5-butyltridec-4-ene (PubChem CID 12531554) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is (E)-5-butyltridec-4-ene.

Molecular Properties

Compound Name(E)-5-butyltridec-4-ene
PubChem CID12531554
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Name(E)-5-butyltridec-4-ene
SMILESCCC/C=C(\CCCC)CCCCCCCC
InChIInChI=1S/C17H34/c1-4-7-10-11-12-13-16-17(14-8-5-2)15-9-6-3/h14H,4-13,15-16H2,1-3H3/b17-14+
InChIKeyKQOYKNPZZWEDRY-SAPNQHFASA-N
XLogP6.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.46
LogP ≤ 56.65
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

5-butylicos-4-ene
CID 54084142
5-ethyldodec-4-ene
CID 123814834
(E)-5-ethyldec-4-ene
CID 173194379
(E)-6-butylpentadec-6-en-1-ol
CID 10265818
5-butyldec-5-ene
CID 15367252
6-ethyltridec-6-ene
CID 123238287
5-ethyltetradec-5-ene
CID 54129215
(Z)-7-ethyltetradec-7-ene
CID 134978641
(E)-12-bromo-6-butyldodec-5-ene
CID 10086325
13-oct-7-enyltriaconta-1,13-diene
CID 123204509
28-hexylpentaconta-1,28-diene
CID 90932256
(E)-2-pentylnon-2-en-1-ol
CID 87912407

Frequently Asked Questions

What is the IUPAC name of (E)-5-butyltridec-4-ene?
The IUPAC name of (E)-5-butyltridec-4-ene (CID 12531554) is (E)-5-butyltridec-4-ene.
What is the SMILES notation for (E)-5-butyltridec-4-ene?
The canonical SMILES for (E)-5-butyltridec-4-ene is CCC/C=C(\CCCC)CCCCCCCC.
What is the InChIKey of (E)-5-butyltridec-4-ene?
The InChIKey is KQOYKNPZZWEDRY-SAPNQHFASA-N. The full InChI is InChI=1S/C17H34/c1-4-7-10-11-12-13-16-17(14-8-5-2)15-9-6-3/h14H,4-13,15-16H2,1-3H3/b17-14+.
What are the key properties of (E)-5-butyltridec-4-ene?
(E)-5-butyltridec-4-ene has a molecular weight of 238.46 g/mol, XLogP of 6.65, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-butyltridec-4-ene is sourced from PubChem (CID 12531554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).