octacosylbenzene

C34H62 — CID 14228596

IUPACoctacosylbenzene
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCc1ccccc1
InChIInChI=1S/C34H62/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-31-34-32-29-27-30-33-34/h27,29-30,32-33H,2-26,28,31H2,1H3
InChIKeyFWYPRLRRSZYFDC-UHFFFAOYSA-N
MW470.87 g/mol
LogP12.39
Rot. Bonds27

About octacosylbenzene

octacosylbenzene (PubChem CID 14228596) has the molecular formula C34H62 and a molecular weight of 470.87 g/mol. Its IUPAC name is octacosylbenzene.

Molecular Properties

Compound Nameoctacosylbenzene
PubChem CID14228596
Molecular FormulaC34H62
Molecular Weight470.87 g/mol
Exact Mass470.49
IUPAC Nameoctacosylbenzene
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCc1ccccc1
InChIInChI=1S/C34H62/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-31-34-32-29-27-30-33-34/h27,29-30,32-33H,2-26,28,31H2,1H3
InChIKeyFWYPRLRRSZYFDC-UHFFFAOYSA-N
XLogP12.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds27
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.87
LogP ≤ 512.39
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

octylbenzene
CID 16607
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347
hexylbenzene;hydrogen peroxide
CID 90001206
CID 67791041
CID 67791041
dodecylbenzene;sulfane
CID 20560423
azane;tetradecylbenzene
CID 70503489
sodium;hydride;pentadecylbenzene
CID 173461904
potassium;hydride;octadecylbenzene
CID 173344678
acetylene;dodecylbenzene;ethane
CID 91021097
dichlorophosphane;octylbenzene
CID 173449895

Frequently Asked Questions

What is the IUPAC name of octacosylbenzene?
The IUPAC name of octacosylbenzene (CID 14228596) is octacosylbenzene.
What is the SMILES notation for octacosylbenzene?
The canonical SMILES for octacosylbenzene is CCCCCCCCCCCCCCCCCCCCCCCCCCCCc1ccccc1.
What is the InChIKey of octacosylbenzene?
The InChIKey is FWYPRLRRSZYFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H62/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-31-34-32-29-27-30-33-34/h27,29-30,32-33H,2-26,28,31H2,1H3.
What are the key properties of octacosylbenzene?
octacosylbenzene has a molecular weight of 470.87 g/mol, XLogP of 12.39, 27 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for octacosylbenzene is sourced from PubChem (CID 14228596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).