pentacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaynenitrile

C25HN — CID 88556838

IUPACpentacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaynenitrile
SMILESC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#N
InChIInChI=1S/C25HN/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26/h1H
InChIKeyAXVFIZRTGNMBFR-UHFFFAOYSA-N
MW315.29 g/mol
LogP0.18
Rot. Bonds

About pentacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaynenitrile

pentacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaynenitrile (PubChem CID 88556838) has the molecular formula C25HN and a molecular weight of 315.29 g/mol. Its IUPAC name is pentacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaynenitrile.

Molecular Properties

Compound Namepentacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaynenitrile
PubChem CID88556838
Molecular FormulaC25HN
Molecular Weight315.29 g/mol
Exact Mass315.01
IUPAC Namepentacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaynenitrile
SMILESC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#N
InChIInChI=1S/C25HN/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26/h1H
InChIKeyAXVFIZRTGNMBFR-UHFFFAOYSA-N
XLogP0.18
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pentacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaynenitrile?
The IUPAC name of pentacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaynenitrile (CID 88556838) is pentacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaynenitrile.
What is the SMILES notation for pentacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaynenitrile?
The canonical SMILES for pentacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaynenitrile is C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#N.
What is the InChIKey of pentacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaynenitrile?
The InChIKey is AXVFIZRTGNMBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25HN/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26/h1H.
What are the key properties of pentacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaynenitrile?
pentacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaynenitrile has a molecular weight of 315.29 g/mol, XLogP of 0.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentacosa-2,4,6,8,10,12,14,16,18,20,22,24-dodecaynenitrile is sourced from PubChem (CID 88556838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).