ethene;octa-1,7-diene;prop-1-ene

C13H24 — CID 54599064

IUPACethene;octa-1,7-diene;prop-1-ene
SMILESC=C.C=CC.C=CCCCCC=C
InChIInChI=1S/C8H14.C3H6.C2H4/c1-3-5-7-8-6-4-2;1-3-2;1-2/h3-4H,1-2,5-8H2;3H,1H2,2H3;1-2H2
InChIKeyWANDHDAOGUXRKK-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.91
Rot. Bonds5

About ethene;octa-1,7-diene;prop-1-ene

ethene;octa-1,7-diene;prop-1-ene (PubChem CID 54599064) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is ethene;octa-1,7-diene;prop-1-ene.

Molecular Properties

Compound Nameethene;octa-1,7-diene;prop-1-ene
PubChem CID54599064
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Nameethene;octa-1,7-diene;prop-1-ene
SMILESC=C.C=CC.C=CCCCCC=C
InChIInChI=1S/C8H14.C3H6.C2H4/c1-3-5-7-8-6-4-2;1-3-2;1-2/h3-4H,1-2,5-8H2;3H,1H2,2H3;1-2H2
InChIKeyWANDHDAOGUXRKK-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.91
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

heptacosa-1,26-diene
CID 58905535
heptadeca-1,16-diene
CID 6429392
dec-1-ene;ethene
CID 161044144
dodec-1-ene;ethene
CID 158697165
but-1-ene;hex-1-ene;prop-1-ene
CID 86759030
but-2-ene;hept-1-ene
CID 158899213
non-1-ene
CID 141296734
hexane;octadec-1-ene
CID 175577514
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
octadec-1-ene;tetradec-1-ene
CID 158470925
ethane;ethene;pent-1-ene;prop-1-ene
CID 142056611
octadecane;octadec-1-ene
CID 162018238

Frequently Asked Questions

What is the IUPAC name of ethene;octa-1,7-diene;prop-1-ene?
The IUPAC name of ethene;octa-1,7-diene;prop-1-ene (CID 54599064) is ethene;octa-1,7-diene;prop-1-ene.
What is the SMILES notation for ethene;octa-1,7-diene;prop-1-ene?
The canonical SMILES for ethene;octa-1,7-diene;prop-1-ene is C=C.C=CC.C=CCCCCC=C.
What is the InChIKey of ethene;octa-1,7-diene;prop-1-ene?
The InChIKey is WANDHDAOGUXRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14.C3H6.C2H4/c1-3-5-7-8-6-4-2;1-3-2;1-2/h3-4H,1-2,5-8H2;3H,1H2,2H3;1-2H2.
What are the key properties of ethene;octa-1,7-diene;prop-1-ene?
ethene;octa-1,7-diene;prop-1-ene has a molecular weight of 180.33 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;octa-1,7-diene;prop-1-ene is sourced from PubChem (CID 54599064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).