5-butylicos-4-ene

C24H48 — CID 54084142

IUPAC5-butylicos-4-ene
SMILESCCCC=C(CCCC)CCCCCCCCCCCCCCC
InChIInChI=1S/C24H48/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-23-24(21-8-5-2)22-9-6-3/h21H,4-20,22-23H2,1-3H3
InChIKeyMPFJGYCHVZFIRY-UHFFFAOYSA-N
MW336.65 g/mol
LogP9.38
Rot. Bonds19

About 5-butylicos-4-ene

5-butylicos-4-ene (PubChem CID 54084142) has the molecular formula C24H48 and a molecular weight of 336.65 g/mol. Its IUPAC name is 5-butylicos-4-ene.

Molecular Properties

Compound Name5-butylicos-4-ene
PubChem CID54084142
Molecular FormulaC24H48
Molecular Weight336.65 g/mol
Exact Mass336.38
IUPAC Name5-butylicos-4-ene
SMILESCCCC=C(CCCC)CCCCCCCCCCCCCCC
InChIInChI=1S/C24H48/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-23-24(21-8-5-2)22-9-6-3/h21H,4-20,22-23H2,1-3H3
InChIKeyMPFJGYCHVZFIRY-UHFFFAOYSA-N
XLogP9.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.65
LogP ≤ 59.38
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

(E)-5-butyltridec-4-ene
CID 12531554
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
13-oct-7-enyltriaconta-1,13-diene
CID 123204509
(E)-12-bromo-6-butyldodec-5-ene
CID 10086325
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 5-butylicos-4-ene?
The IUPAC name of 5-butylicos-4-ene (CID 54084142) is 5-butylicos-4-ene.
What is the SMILES notation for 5-butylicos-4-ene?
The canonical SMILES for 5-butylicos-4-ene is CCCC=C(CCCC)CCCCCCCCCCCCCCC.
What is the InChIKey of 5-butylicos-4-ene?
The InChIKey is MPFJGYCHVZFIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-23-24(21-8-5-2)22-9-6-3/h21H,4-20,22-23H2,1-3H3.
What are the key properties of 5-butylicos-4-ene?
5-butylicos-4-ene has a molecular weight of 336.65 g/mol, XLogP of 9.38, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butylicos-4-ene is sourced from PubChem (CID 54084142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).