icosan-10-ylbenzene

C26H46 — CID 54351357

IUPACicosan-10-ylbenzene
SMILESCCCCCCCCCCC(CCCCCCCCC)c1ccccc1
InChIInChI=1S/C26H46/c1-3-5-7-9-11-13-15-18-22-25(26-23-19-16-20-24-26)21-17-14-12-10-8-6-4-2/h16,19-20,23-25H,3-15,17-18,21-22H2,1-2H3
InChIKeyAKBSAHBACKVOOR-UHFFFAOYSA-N
MW358.65 g/mol
LogP9.44
Rot. Bonds18

About icosan-10-ylbenzene

icosan-10-ylbenzene (PubChem CID 54351357) has the molecular formula C26H46 and a molecular weight of 358.65 g/mol. Its IUPAC name is icosan-10-ylbenzene.

Molecular Properties

Compound Nameicosan-10-ylbenzene
PubChem CID54351357
Molecular FormulaC26H46
Molecular Weight358.65 g/mol
Exact Mass358.36
IUPAC Nameicosan-10-ylbenzene
SMILESCCCCCCCCCCC(CCCCCCCCC)c1ccccc1
InChIInChI=1S/C26H46/c1-3-5-7-9-11-13-15-18-22-25(26-23-19-16-20-24-26)21-17-14-12-10-8-6-4-2/h16,19-20,23-25H,3-15,17-18,21-22H2,1-2H3
InChIKeyAKBSAHBACKVOOR-UHFFFAOYSA-N
XLogP9.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds18
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.65
LogP ≤ 59.44
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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Related Compounds

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1-phenyltridecan-2-ylbenzene
CID 22919631
1-phenylundecan-2-ylbenzene
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Frequently Asked Questions

What is the IUPAC name of icosan-10-ylbenzene?
The IUPAC name of icosan-10-ylbenzene (CID 54351357) is icosan-10-ylbenzene.
What is the SMILES notation for icosan-10-ylbenzene?
The canonical SMILES for icosan-10-ylbenzene is CCCCCCCCCCC(CCCCCCCCC)c1ccccc1.
What is the InChIKey of icosan-10-ylbenzene?
The InChIKey is AKBSAHBACKVOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46/c1-3-5-7-9-11-13-15-18-22-25(26-23-19-16-20-24-26)21-17-14-12-10-8-6-4-2/h16,19-20,23-25H,3-15,17-18,21-22H2,1-2H3.
What are the key properties of icosan-10-ylbenzene?
icosan-10-ylbenzene has a molecular weight of 358.65 g/mol, XLogP of 9.44, 18 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for icosan-10-ylbenzene is sourced from PubChem (CID 54351357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).