4-(5-pent-4-enylundeca-4,10-dienyl)cyclopentene

C21H34 — CID 173470691

IUPAC4-(5-pent-4-enylundeca-4,10-dienyl)cyclopentene
SMILESC=CCCCCC(=CCCCC1CC=CC1)CCCC=C
InChIInChI=1S/C21H34/c1-3-5-7-9-15-20(14-8-6-4-2)16-10-11-17-21-18-12-13-19-21/h3-4,12-13,16,21H,1-2,5-11,14-15,17-19H2
InChIKeyJFJARUIPENTFAT-UHFFFAOYSA-N
MW286.50 g/mol
LogP7.15
Rot. Bonds13

About 4-(5-pent-4-enylundeca-4,10-dienyl)cyclopentene

4-(5-pent-4-enylundeca-4,10-dienyl)cyclopentene (PubChem CID 173470691) has the molecular formula C21H34 and a molecular weight of 286.50 g/mol. Its IUPAC name is 4-(5-pent-4-enylundeca-4,10-dienyl)cyclopentene.

Molecular Properties

Compound Name4-(5-pent-4-enylundeca-4,10-dienyl)cyclopentene
PubChem CID173470691
Molecular FormulaC21H34
Molecular Weight286.50 g/mol
Exact Mass286.27
IUPAC Name4-(5-pent-4-enylundeca-4,10-dienyl)cyclopentene
SMILESC=CCCCCC(=CCCCC1CC=CC1)CCCC=C
InChIInChI=1S/C21H34/c1-3-5-7-9-15-20(14-8-6-4-2)16-10-11-17-21-18-12-13-19-21/h3-4,12-13,16,21H,1-2,5-11,14-15,17-19H2
InChIKeyJFJARUIPENTFAT-UHFFFAOYSA-N
XLogP7.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.50
LogP ≤ 57.15
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

4-hex-5-enylcyclopentene
CID 154064369
7-but-3-enylheptadeca-1,7,16-triene
CID 56610542
13-oct-7-enyltriaconta-1,13-diene
CID 123204509
28-hexylpentaconta-1,28-diene
CID 90932256
(5Z)-5-nonylidenenonadec-18-enal
CID 87998044
19-tetradecylideneheptatriaconta-1,28-diene
CID 173321921
dec-1-ene;dodec-1-ene;19-pentadecylideneheptatriaconta-1,28-diene;undec-1-ene
CID 173410314
6-but-3-enylundec-5-ene
CID 175604852
hex-5-enylcyclopentane
CID 20565123
7-ethylnona-1,7-diene
CID 54551079
1-hexa-1,3-dien-3-yl-3-hex-5-enylcyclobutane
CID 123937729
3-methyl-6-propylideneundeca-1,10-diene
CID 173106292

Frequently Asked Questions

What is the IUPAC name of 4-(5-pent-4-enylundeca-4,10-dienyl)cyclopentene?
The IUPAC name of 4-(5-pent-4-enylundeca-4,10-dienyl)cyclopentene (CID 173470691) is 4-(5-pent-4-enylundeca-4,10-dienyl)cyclopentene.
What is the SMILES notation for 4-(5-pent-4-enylundeca-4,10-dienyl)cyclopentene?
The canonical SMILES for 4-(5-pent-4-enylundeca-4,10-dienyl)cyclopentene is C=CCCCCC(=CCCCC1CC=CC1)CCCC=C.
What is the InChIKey of 4-(5-pent-4-enylundeca-4,10-dienyl)cyclopentene?
The InChIKey is JFJARUIPENTFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34/c1-3-5-7-9-15-20(14-8-6-4-2)16-10-11-17-21-18-12-13-19-21/h3-4,12-13,16,21H,1-2,5-11,14-15,17-19H2.
What are the key properties of 4-(5-pent-4-enylundeca-4,10-dienyl)cyclopentene?
4-(5-pent-4-enylundeca-4,10-dienyl)cyclopentene has a molecular weight of 286.50 g/mol, XLogP of 7.15, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-pent-4-enylundeca-4,10-dienyl)cyclopentene is sourced from PubChem (CID 173470691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).