19-tetradecylideneheptatriaconta-1,28-diene

C51H98 — CID 173321921

IUPAC19-tetradecylideneheptatriaconta-1,28-diene
SMILESC=CCCCCCCCCCCCCCCCCC(=CCCCCCCCCCCCCC)CCCCCCCCC=CCCCCCCCC
InChIInChI=1S/C51H98/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-51(48-45-42-39-36-33-24-21-18-15-12-9-6-3)50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h4,26,28,48H,1,5-25,27,29-47,49-50H2,2-3H3
InChIKeyIOYIAUIRYAEQHG-UHFFFAOYSA-N
MW711.34 g/mol
LogP19.47
Rot. Bonds45

About 19-tetradecylideneheptatriaconta-1,28-diene

19-tetradecylideneheptatriaconta-1,28-diene (PubChem CID 173321921) has the molecular formula C51H98 and a molecular weight of 711.34 g/mol. Its IUPAC name is 19-tetradecylideneheptatriaconta-1,28-diene.

Molecular Properties

Compound Name19-tetradecylideneheptatriaconta-1,28-diene
PubChem CID173321921
Molecular FormulaC51H98
Molecular Weight711.34 g/mol
Exact Mass710.77
IUPAC Name19-tetradecylideneheptatriaconta-1,28-diene
SMILESC=CCCCCCCCCCCCCCCCCC(=CCCCCCCCCCCCCC)CCCCCCCCC=CCCCCCCCC
InChIInChI=1S/C51H98/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-51(48-45-42-39-36-33-24-21-18-15-12-9-6-3)50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h4,26,28,48H,1,5-25,27,29-47,49-50H2,2-3H3
InChIKeyIOYIAUIRYAEQHG-UHFFFAOYSA-N
XLogP19.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds45
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.34
LogP ≤ 519.47
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

dec-1-ene;dodec-1-ene;19-pentadecylideneheptatriaconta-1,28-diene;undec-1-ene
CID 173410314
13-oct-7-enyltriaconta-1,13-diene
CID 123204509
28-hexylpentaconta-1,28-diene
CID 90932256
(5Z)-5-nonylidenenonadec-18-enal
CID 87998044
6-but-3-enylundec-5-ene
CID 175604852
pentaconta-1,25-diene
CID 90941740
pentacosa-1,9,15-triene
CID 90876289
tetradeca-1,8-diene
CID 90913546
triaconta-1,19-diene
CID 54007897
pentacosa-1,16-diene
CID 57082437
(7E)-heptadeca-1,7-diene
CID 19050683
heptadeca-1,7-diene
CID 57204265

Frequently Asked Questions

What is the IUPAC name of 19-tetradecylideneheptatriaconta-1,28-diene?
The IUPAC name of 19-tetradecylideneheptatriaconta-1,28-diene (CID 173321921) is 19-tetradecylideneheptatriaconta-1,28-diene.
What is the SMILES notation for 19-tetradecylideneheptatriaconta-1,28-diene?
The canonical SMILES for 19-tetradecylideneheptatriaconta-1,28-diene is C=CCCCCCCCCCCCCCCCCC(=CCCCCCCCCCCCCC)CCCCCCCCC=CCCCCCCCC.
What is the InChIKey of 19-tetradecylideneheptatriaconta-1,28-diene?
The InChIKey is IOYIAUIRYAEQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H98/c1-4-7-10-13-16-19-22-25-27-29-31-34-37-40-43-46-49-51(48-45-42-39-36-33-24-21-18-15-12-9-6-3)50-47-44-41-38-35-32-30-28-26-23-20-17-14-11-8-5-2/h4,26,28,48H,1,5-25,27,29-47,49-50H2,2-3H3.
What are the key properties of 19-tetradecylideneheptatriaconta-1,28-diene?
19-tetradecylideneheptatriaconta-1,28-diene has a molecular weight of 711.34 g/mol, XLogP of 19.47, 45 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 19-tetradecylideneheptatriaconta-1,28-diene is sourced from PubChem (CID 173321921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).