13-pent-4-enylheptacosa-1,26-diene

C32H60 — CID 91232021

IUPAC13-pent-4-enylheptacosa-1,26-diene
SMILESC=CCCCCCCCCCCCCC(CCCC=C)CCCCCCCCCCC=C
InChIInChI=1S/C32H60/c1-4-7-10-12-14-16-18-19-21-23-25-28-31-32(29-26-9-6-3)30-27-24-22-20-17-15-13-11-8-5-2/h4-6,32H,1-3,7-31H2
InChIKeyJBROHFSSSIRFKT-UHFFFAOYSA-N
MW444.83 g/mol
LogP11.91
Rot. Bonds28

About 13-pent-4-enylheptacosa-1,26-diene

13-pent-4-enylheptacosa-1,26-diene (PubChem CID 91232021) has the molecular formula C32H60 and a molecular weight of 444.83 g/mol. Its IUPAC name is 13-pent-4-enylheptacosa-1,26-diene.

Molecular Properties

Compound Name13-pent-4-enylheptacosa-1,26-diene
PubChem CID91232021
Molecular FormulaC32H60
Molecular Weight444.83 g/mol
Exact Mass444.47
IUPAC Name13-pent-4-enylheptacosa-1,26-diene
SMILESC=CCCCCCCCCCCCCC(CCCC=C)CCCCCCCCCCC=C
InChIInChI=1S/C32H60/c1-4-7-10-12-14-16-18-19-21-23-25-28-31-32(29-26-9-6-3)30-27-24-22-20-17-15-13-11-8-5-2/h4-6,32H,1-3,7-31H2
InChIKeyJBROHFSSSIRFKT-UHFFFAOYSA-N
XLogP11.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds28
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.83
LogP ≤ 511.91
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

5-non-8-enyltetradec-13-enal
CID 155605589
7-pentyltridec-1-ene
CID 123620244
12-pentyltricosa-1,22-diene
CID 102409743
9-propyldodec-1-ene
CID 174048054
26-heptadecylnonapentacont-1-ene
CID 123445046
9-butyltetracosane;icosane;oct-1-ene
CID 159857155
2-dec-9-enylpropane-1,3-diol
CID 135271441
7-butylundec-1-ene
CID 174048295
7-propylundec-1-ene
CID 174048285
heptadeca-1,16-diene
CID 6429392
heptacosa-1,26-diene
CID 58905535
8-ethylpentadec-1-ene
CID 91081893

Frequently Asked Questions

What is the IUPAC name of 13-pent-4-enylheptacosa-1,26-diene?
The IUPAC name of 13-pent-4-enylheptacosa-1,26-diene (CID 91232021) is 13-pent-4-enylheptacosa-1,26-diene.
What is the SMILES notation for 13-pent-4-enylheptacosa-1,26-diene?
The canonical SMILES for 13-pent-4-enylheptacosa-1,26-diene is C=CCCCCCCCCCCCCC(CCCC=C)CCCCCCCCCCC=C.
What is the InChIKey of 13-pent-4-enylheptacosa-1,26-diene?
The InChIKey is JBROHFSSSIRFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H60/c1-4-7-10-12-14-16-18-19-21-23-25-28-31-32(29-26-9-6-3)30-27-24-22-20-17-15-13-11-8-5-2/h4-6,32H,1-3,7-31H2.
What are the key properties of 13-pent-4-enylheptacosa-1,26-diene?
13-pent-4-enylheptacosa-1,26-diene has a molecular weight of 444.83 g/mol, XLogP of 11.91, 28 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 13-pent-4-enylheptacosa-1,26-diene is sourced from PubChem (CID 91232021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).