octylbenzene

C14H22 — CID 16607

IUPACoctylbenzene
SMILESCCCCCCCCc1ccccc1
InChIInChI=1S/C14H22/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h7,9-10,12-13H,2-6,8,11H2,1H3
InChIKeyCDKDZKXSXLNROY-UHFFFAOYSA-N
MW190.33 g/mol
LogP4.59
Rot. Bonds7

About octylbenzene

octylbenzene (PubChem CID 16607) has the molecular formula C14H22 and a molecular weight of 190.33 g/mol. Its IUPAC name is octylbenzene.

Molecular Properties

Compound Nameoctylbenzene
PubChem CID16607
Molecular FormulaC14H22
Molecular Weight190.33 g/mol
Exact Mass190.17
IUPAC Nameoctylbenzene
SMILESCCCCCCCCc1ccccc1
InChIInChI=1S/C14H22/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h7,9-10,12-13H,2-6,8,11H2,1H3
InChIKeyCDKDZKXSXLNROY-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 54.59
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

octacosylbenzene
CID 14228596
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 octylbenzene?
The IUPAC name of octylbenzene (CID 16607) is octylbenzene.
What is the SMILES notation for octylbenzene?
The canonical SMILES for octylbenzene is CCCCCCCCc1ccccc1.
What is the InChIKey of octylbenzene?
The InChIKey is CDKDZKXSXLNROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h7,9-10,12-13H,2-6,8,11H2,1H3.
What are the key properties of octylbenzene?
octylbenzene has a molecular weight of 190.33 g/mol, XLogP of 4.59, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for octylbenzene is sourced from PubChem (CID 16607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).