1-dodec-6-enyl-3-heptylcyclopropene

C22H40 — CID 123978294

IUPAC1-dodec-6-enyl-3-heptylcyclopropene
SMILESCCCCCC=CCCCCCC1=CC1CCCCCCC
InChIInChI=1S/C22H40/c1-3-5-7-9-10-11-12-13-15-17-19-22-20-21(22)18-16-14-8-6-4-2/h10-11,20-21H,3-9,12-19H2,1-2H3
InChIKeyYFUUQQMQKILOMC-UHFFFAOYSA-N
MW304.56 g/mol
LogP7.99
Rot. Bonds16

About 1-dodec-6-enyl-3-heptylcyclopropene

1-dodec-6-enyl-3-heptylcyclopropene (PubChem CID 123978294) has the molecular formula C22H40 and a molecular weight of 304.56 g/mol. Its IUPAC name is 1-dodec-6-enyl-3-heptylcyclopropene.

Molecular Properties

Compound Name1-dodec-6-enyl-3-heptylcyclopropene
PubChem CID123978294
Molecular FormulaC22H40
Molecular Weight304.56 g/mol
Exact Mass304.31
IUPAC Name1-dodec-6-enyl-3-heptylcyclopropene
SMILESCCCCCC=CCCCCCC1=CC1CCCCCCC
InChIInChI=1S/C22H40/c1-3-5-7-9-10-11-12-13-15-17-19-22-20-21(22)18-16-14-8-6-4-2/h10-11,20-21H,3-9,12-19H2,1-2H3
InChIKeyYFUUQQMQKILOMC-UHFFFAOYSA-N
XLogP7.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.56
LogP ≤ 57.99
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

1,3-dihexylcyclopropene
CID 22621674
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
tetratriacont-8-ene
CID 123670593
(E)-icos-10-ene
CID 10468895
heptatriacont-13-ene
CID 71378710
(E)-docos-6-ene
CID 22172020
triacont-12-ene
CID 54535715
(Z)-octadec-6-ene
CID 5352239
(24Z)-hexatriaconta-9,24-diene
CID 173127472

Frequently Asked Questions

What is the IUPAC name of 1-dodec-6-enyl-3-heptylcyclopropene?
The IUPAC name of 1-dodec-6-enyl-3-heptylcyclopropene (CID 123978294) is 1-dodec-6-enyl-3-heptylcyclopropene.
What is the SMILES notation for 1-dodec-6-enyl-3-heptylcyclopropene?
The canonical SMILES for 1-dodec-6-enyl-3-heptylcyclopropene is CCCCCC=CCCCCCC1=CC1CCCCCCC.
What is the InChIKey of 1-dodec-6-enyl-3-heptylcyclopropene?
The InChIKey is YFUUQQMQKILOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40/c1-3-5-7-9-10-11-12-13-15-17-19-22-20-21(22)18-16-14-8-6-4-2/h10-11,20-21H,3-9,12-19H2,1-2H3.
What are the key properties of 1-dodec-6-enyl-3-heptylcyclopropene?
1-dodec-6-enyl-3-heptylcyclopropene has a molecular weight of 304.56 g/mol, XLogP of 7.99, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dodec-6-enyl-3-heptylcyclopropene is sourced from PubChem (CID 123978294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).