undecylbenzene

C17H28 — CID 23194

IUPACundecylbenzene
SMILESCCCCCCCCCCCc1ccccc1
InChIInChI=1S/C17H28/c1-2-3-4-5-6-7-8-9-11-14-17-15-12-10-13-16-17/h10,12-13,15-16H,2-9,11,14H2,1H3
InChIKeyXBEADGFTLHRJRB-UHFFFAOYSA-N
MW232.41 g/mol
LogP5.76
Rot. Bonds10

About undecylbenzene

undecylbenzene (PubChem CID 23194) has the molecular formula C17H28 and a molecular weight of 232.41 g/mol. Its IUPAC name is undecylbenzene.

Molecular Properties

Compound Nameundecylbenzene
PubChem CID23194
Molecular FormulaC17H28
Molecular Weight232.41 g/mol
Exact Mass232.22
IUPAC Nameundecylbenzene
SMILESCCCCCCCCCCCc1ccccc1
InChIInChI=1S/C17H28/c1-2-3-4-5-6-7-8-9-11-14-17-15-12-10-13-16-17/h10,12-13,15-16H,2-9,11,14H2,1H3
InChIKeyXBEADGFTLHRJRB-UHFFFAOYSA-N
XLogP5.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.41
LogP ≤ 55.76
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 undecylbenzene?
The IUPAC name of undecylbenzene (CID 23194) is undecylbenzene.
What is the SMILES notation for undecylbenzene?
The canonical SMILES for undecylbenzene is CCCCCCCCCCCc1ccccc1.
What is the InChIKey of undecylbenzene?
The InChIKey is XBEADGFTLHRJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28/c1-2-3-4-5-6-7-8-9-11-14-17-15-12-10-13-16-17/h10,12-13,15-16H,2-9,11,14H2,1H3.
What are the key properties of undecylbenzene?
undecylbenzene has a molecular weight of 232.41 g/mol, XLogP of 5.76, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for undecylbenzene is sourced from PubChem (CID 23194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).