heptacosa-1,26-diene

C27H52 — CID 58905535

IUPACheptacosa-1,26-diene
SMILESC=CCCCCCCCCCCCCCCCCCCCCCCCC=C
InChIInChI=1S/C27H52/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-4H,1-2,5-27H2
InChIKeyCFBGRPCKMDQDKK-UHFFFAOYSA-N
MW376.71 g/mol
LogP10.33
Rot. Bonds24

About heptacosa-1,26-diene

heptacosa-1,26-diene (PubChem CID 58905535) has the molecular formula C27H52 and a molecular weight of 376.71 g/mol. Its IUPAC name is heptacosa-1,26-diene.

Molecular Properties

Compound Nameheptacosa-1,26-diene
PubChem CID58905535
Molecular FormulaC27H52
Molecular Weight376.71 g/mol
Exact Mass376.41
IUPAC Nameheptacosa-1,26-diene
SMILESC=CCCCCCCCCCCCCCCCCCCCCCCCC=C
InChIInChI=1S/C27H52/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-4H,1-2,5-27H2
InChIKeyCFBGRPCKMDQDKK-UHFFFAOYSA-N
XLogP10.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds24
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.71
LogP ≤ 510.33
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

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non-1-ene
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heptadec-16-en-1-amine
CID 15590771
octadeca-1,17-diene;tetradec-1-ene
CID 173070986
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CID 14559831
octadec-1-ene;tetradec-1-ene
CID 158470925
hexadec-15-enylsilane
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dec-1-ene;dodec-1-ene;tetradec-1-ene
CID 159177706

Frequently Asked Questions

What is the IUPAC name of heptacosa-1,26-diene?
The IUPAC name of heptacosa-1,26-diene (CID 58905535) is heptacosa-1,26-diene.
What is the SMILES notation for heptacosa-1,26-diene?
The canonical SMILES for heptacosa-1,26-diene is C=CCCCCCCCCCCCCCCCCCCCCCCCC=C.
What is the InChIKey of heptacosa-1,26-diene?
The InChIKey is CFBGRPCKMDQDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H52/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-4H,1-2,5-27H2.
What are the key properties of heptacosa-1,26-diene?
heptacosa-1,26-diene has a molecular weight of 376.71 g/mol, XLogP of 10.33, 24 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for heptacosa-1,26-diene is sourced from PubChem (CID 58905535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).