hentriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecaynenitrile

C31HN — CID 59741362

IUPAChentriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecaynenitrile
SMILESC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#N
InChIInChI=1S/C31HN/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32/h1H
InChIKeyOSBQWAVBBHBUPD-UHFFFAOYSA-N
MW387.36 g/mol
LogP0.19
Rot. Bonds

About hentriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecaynenitrile

hentriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecaynenitrile (PubChem CID 59741362) has the molecular formula C31HN and a molecular weight of 387.36 g/mol. Its IUPAC name is hentriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecaynenitrile.

Molecular Properties

Compound Namehentriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecaynenitrile
PubChem CID59741362
Molecular FormulaC31HN
Molecular Weight387.36 g/mol
Exact Mass387.01
IUPAC Namehentriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecaynenitrile
SMILESC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#N
InChIInChI=1S/C31HN/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32/h1H
InChIKeyOSBQWAVBBHBUPD-UHFFFAOYSA-N
XLogP0.19
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 50.19
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 hentriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecaynenitrile?
The IUPAC name of hentriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecaynenitrile (CID 59741362) is hentriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecaynenitrile.
What is the SMILES notation for hentriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecaynenitrile?
The canonical SMILES for hentriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecaynenitrile is C#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#CC#N.
What is the InChIKey of hentriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecaynenitrile?
The InChIKey is OSBQWAVBBHBUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31HN/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32/h1H.
What are the key properties of hentriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecaynenitrile?
hentriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecaynenitrile has a molecular weight of 387.36 g/mol, XLogP of 0.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hentriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30-pentadecaynenitrile is sourced from PubChem (CID 59741362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).