1,5-dioctylcyclopenta-1,3-diene

C21H38 — CID 173106521

IUPAC1,5-dioctylcyclopenta-1,3-diene
SMILESCCCCCCCCC1=CC=CC1CCCCCCCC
InChIInChI=1S/C21H38/c1-3-5-7-9-11-13-16-20-18-15-19-21(20)17-14-12-10-8-6-4-2/h15,18-20H,3-14,16-17H2,1-2H3
InChIKeyUIIXQJQDTKRDAU-UHFFFAOYSA-N
MW290.54 g/mol
LogP7.60
Rot. Bonds14

About 1,5-dioctylcyclopenta-1,3-diene

1,5-dioctylcyclopenta-1,3-diene (PubChem CID 173106521) has the molecular formula C21H38 and a molecular weight of 290.54 g/mol. Its IUPAC name is 1,5-dioctylcyclopenta-1,3-diene.

Molecular Properties

Compound Name1,5-dioctylcyclopenta-1,3-diene
PubChem CID173106521
Molecular FormulaC21H38
Molecular Weight290.54 g/mol
Exact Mass290.30
IUPAC Name1,5-dioctylcyclopenta-1,3-diene
SMILESCCCCCCCCC1=CC=CC1CCCCCCCC
InChIInChI=1S/C21H38/c1-3-5-7-9-11-13-16-20-18-15-19-21(20)17-14-12-10-8-6-4-2/h15,18-20H,3-14,16-17H2,1-2H3
InChIKeyUIIXQJQDTKRDAU-UHFFFAOYSA-N
XLogP7.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.54
LogP ≤ 57.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,5-dibutylcyclopenta-1,3-diene;dichlorozirconium
CID 174628569
1,3-dihexylcyclopropene
CID 22621674
5-butylcyclopenta-1,3-diene-1-sulfonic acid
CID 176533611
1-dodec-6-enyl-3-heptylcyclopropene
CID 123978294
(2-butylcyclopenta-2,4-dien-1-yl)silane
CID 150574947
3-butyl-2-hexyl-1,2-dihydropyridine
CID 174837451
6-tridecylcyclohexa-2,4-dien-1-one
CID 141201662
(2-butylcyclopenta-2,4-dien-1-yl)-(3,5-dihexylphenyl)-dimethylsilane
CID 173383564
1,4-dihexyl-5-propylcyclohexa-1,3-diene
CID 177419240
5-undecylcyclopenta-1,3-diene
CID 141280590
3-[2-(3-oxopropyl)cyclopenta-2,4-dien-1-yl]propanal
CID 132563823
1-butyl-5-cyclopentylcyclopenta-1,3-diene
CID 159612509

Frequently Asked Questions

What is the IUPAC name of 1,5-dioctylcyclopenta-1,3-diene?
The IUPAC name of 1,5-dioctylcyclopenta-1,3-diene (CID 173106521) is 1,5-dioctylcyclopenta-1,3-diene.
What is the SMILES notation for 1,5-dioctylcyclopenta-1,3-diene?
The canonical SMILES for 1,5-dioctylcyclopenta-1,3-diene is CCCCCCCCC1=CC=CC1CCCCCCCC.
What is the InChIKey of 1,5-dioctylcyclopenta-1,3-diene?
The InChIKey is UIIXQJQDTKRDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38/c1-3-5-7-9-11-13-16-20-18-15-19-21(20)17-14-12-10-8-6-4-2/h15,18-20H,3-14,16-17H2,1-2H3.
What are the key properties of 1,5-dioctylcyclopenta-1,3-diene?
1,5-dioctylcyclopenta-1,3-diene has a molecular weight of 290.54 g/mol, XLogP of 7.60, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dioctylcyclopenta-1,3-diene is sourced from PubChem (CID 173106521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).