henicosan-11-ylcyclopentane

C26H52 — CID 23170

IUPAChenicosan-11-ylcyclopentane
SMILESCCCCCCCCCCC(CCCCCCCCCC)C1CCCC1
InChIInChI=1S/C26H52/c1-3-5-7-9-11-13-15-17-21-25(26-23-19-20-24-26)22-18-16-14-12-10-8-6-4-2/h25-26H,3-24H2,1-2H3
InChIKeyLEQBWYDHNLNMED-UHFFFAOYSA-N
MW364.70 g/mol
LogP9.85
Rot. Bonds19

About henicosan-11-ylcyclopentane

henicosan-11-ylcyclopentane (PubChem CID 23170) has the molecular formula C26H52 and a molecular weight of 364.70 g/mol. Its IUPAC name is henicosan-11-ylcyclopentane.

Molecular Properties

Compound Namehenicosan-11-ylcyclopentane
PubChem CID23170
Molecular FormulaC26H52
Molecular Weight364.70 g/mol
Exact Mass364.41
IUPAC Namehenicosan-11-ylcyclopentane
SMILESCCCCCCCCCCC(CCCCCCCCCC)C1CCCC1
InChIInChI=1S/C26H52/c1-3-5-7-9-11-13-15-17-21-25(26-23-19-20-24-26)22-18-16-14-12-10-8-6-4-2/h25-26H,3-24H2,1-2H3
InChIKeyLEQBWYDHNLNMED-UHFFFAOYSA-N
XLogP9.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.70
LogP ≤ 59.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of henicosan-11-ylcyclopentane?
The IUPAC name of henicosan-11-ylcyclopentane (CID 23170) is henicosan-11-ylcyclopentane.
What is the SMILES notation for henicosan-11-ylcyclopentane?
The canonical SMILES for henicosan-11-ylcyclopentane is CCCCCCCCCCC(CCCCCCCCCC)C1CCCC1.
What is the InChIKey of henicosan-11-ylcyclopentane?
The InChIKey is LEQBWYDHNLNMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H52/c1-3-5-7-9-11-13-15-17-21-25(26-23-19-20-24-26)22-18-16-14-12-10-8-6-4-2/h25-26H,3-24H2,1-2H3.
What are the key properties of henicosan-11-ylcyclopentane?
henicosan-11-ylcyclopentane has a molecular weight of 364.70 g/mol, XLogP of 9.85, 19 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for henicosan-11-ylcyclopentane is sourced from PubChem (CID 23170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).