nonylbenzene

C15H24 — CID 14126

IUPACnonylbenzene
SMILESCCCCCCCCCc1ccccc1
InChIInChI=1S/C15H24/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15/h8,10-11,13-14H,2-7,9,12H2,1H3
InChIKeyLIXVMPBOGDCSRM-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.98
Rot. Bonds8

About nonylbenzene

nonylbenzene (PubChem CID 14126) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is nonylbenzene.

Molecular Properties

Compound Namenonylbenzene
PubChem CID14126
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Namenonylbenzene
SMILESCCCCCCCCCc1ccccc1
InChIInChI=1S/C15H24/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15/h8,10-11,13-14H,2-7,9,12H2,1H3
InChIKeyLIXVMPBOGDCSRM-UHFFFAOYSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.98
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

Biphenyl
CID 7095
Toluene
CID 1140
O-Xylene
CID 7237
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Styrene
CID 7501
M-Xylene
CID 7929
P-Xylene
CID 7809
P-Cymene
CID 7463
Indene
CID 7219
1,2,4-Trimethylbenzene
CID 7247
Cumene
CID 7406

Frequently Asked Questions

What is the IUPAC name of nonylbenzene?
The IUPAC name of nonylbenzene (CID 14126) is nonylbenzene.
What is the SMILES notation for nonylbenzene?
The canonical SMILES for nonylbenzene is CCCCCCCCCc1ccccc1.
What is the InChIKey of nonylbenzene?
The InChIKey is LIXVMPBOGDCSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15/h8,10-11,13-14H,2-7,9,12H2,1H3.
What are the key properties of nonylbenzene?
nonylbenzene has a molecular weight of 204.36 g/mol, XLogP of 4.98, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nonylbenzene is sourced from PubChem (CID 14126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).