pentacosa-1,16-diene

C25H48 — CID 57082437

IUPACpentacosa-1,16-diene
SMILESC=CCCCCCCCCCCCCCC=CCCCCCCCC
InChIInChI=1S/C25H48/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h3,18,20H,1,4-17,19,21-25H2,2H3
InChIKeyNQZCMSLRHZPRMB-UHFFFAOYSA-N
MW348.66 g/mol
LogP9.55
Rot. Bonds21

About pentacosa-1,16-diene

pentacosa-1,16-diene (PubChem CID 57082437) has the molecular formula C25H48 and a molecular weight of 348.66 g/mol. Its IUPAC name is pentacosa-1,16-diene.

Molecular Properties

Compound Namepentacosa-1,16-diene
PubChem CID57082437
Molecular FormulaC25H48
Molecular Weight348.66 g/mol
Exact Mass348.38
IUPAC Namepentacosa-1,16-diene
SMILESC=CCCCCCCCCCCCCCC=CCCCCCCCC
InChIInChI=1S/C25H48/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h3,18,20H,1,4-17,19,21-25H2,2H3
InChIKeyNQZCMSLRHZPRMB-UHFFFAOYSA-N
XLogP9.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds21
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.66
LogP ≤ 59.55
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

triaconta-1,19-diene
CID 54007897
pentacosa-1,9,15-triene
CID 90876289
tetradeca-1,8-diene
CID 90913546
pentaconta-1,25-diene
CID 90941740
heptadeca-1,7-diene
CID 57204265
hexadeca-1,10-diene
CID 56606054
(10E)-hexadeca-1,10-diene
CID 156743041
(18Z)-heptacosa-1,18-diene
CID 14841085
(7E)-heptadeca-1,7-diene
CID 19050683
hexadec-6-ene;hex-1-ene
CID 158850904
tricosa-1,6-diene
CID 175196703
nonacosa-1,7,9,21-tetraene
CID 175853197

Frequently Asked Questions

What is the IUPAC name of pentacosa-1,16-diene?
The IUPAC name of pentacosa-1,16-diene (CID 57082437) is pentacosa-1,16-diene.
What is the SMILES notation for pentacosa-1,16-diene?
The canonical SMILES for pentacosa-1,16-diene is C=CCCCCCCCCCCCCCC=CCCCCCCCC.
What is the InChIKey of pentacosa-1,16-diene?
The InChIKey is NQZCMSLRHZPRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h3,18,20H,1,4-17,19,21-25H2,2H3.
What are the key properties of pentacosa-1,16-diene?
pentacosa-1,16-diene has a molecular weight of 348.66 g/mol, XLogP of 9.55, 21 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentacosa-1,16-diene is sourced from PubChem (CID 57082437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).