henicos-8-yne

C21H40 — CID 22224321

IUPAChenicos-8-yne
SMILESCCCCCCCC#CCCCCCCCCCCCC
InChIInChI=1S/C21H40/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3-15,17,19-21H2,1-2H3
InChIKeyOSAJTGIPYLNYDA-UHFFFAOYSA-N
MW292.55 g/mol
LogP7.66
Rot. Bonds15

About henicos-8-yne

henicos-8-yne (PubChem CID 22224321) has the molecular formula C21H40 and a molecular weight of 292.55 g/mol. Its IUPAC name is henicos-8-yne.

Molecular Properties

Compound Namehenicos-8-yne
PubChem CID22224321
Molecular FormulaC21H40
Molecular Weight292.55 g/mol
Exact Mass292.31
IUPAC Namehenicos-8-yne
SMILESCCCCCCCC#CCCCCCCCCCCCC
InChIInChI=1S/C21H40/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3-15,17,19-21H2,1-2H3
InChIKeyOSAJTGIPYLNYDA-UHFFFAOYSA-N
XLogP7.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.55
LogP ≤ 57.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

nonacos-4-yne
CID 22223961
pentacos-4-yne
CID 22223888
hexadeca-3,9-diyne
CID 54568863
hexacos-3-yne
CID 22223851
icosa-5,8,11-triyne
CID 139696043
carbonic acid;tetradec-7-yne
CID 90353944
1-bromodocos-2-yne
CID 172558886
15-iodopentadec-7-yne
CID 10496912
octadec-5-yn-1-amine
CID 87547791
heptadeca-4,7,10-triyne
CID 171715223
dodec-4-yn-1-amine
CID 15707491
heptadec-8-yn-1-ol
CID 10491053

Frequently Asked Questions

What is the IUPAC name of henicos-8-yne?
The IUPAC name of henicos-8-yne (CID 22224321) is henicos-8-yne.
What is the SMILES notation for henicos-8-yne?
The canonical SMILES for henicos-8-yne is CCCCCCCC#CCCCCCCCCCCCC.
What is the InChIKey of henicos-8-yne?
The InChIKey is OSAJTGIPYLNYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3-15,17,19-21H2,1-2H3.
What are the key properties of henicos-8-yne?
henicos-8-yne has a molecular weight of 292.55 g/mol, XLogP of 7.66, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for henicos-8-yne is sourced from PubChem (CID 22224321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).