decan-5-ylbenzene

C16H26 — CID 20657

IUPACdecan-5-ylbenzene
SMILESCCCCCC(CCCC)c1ccccc1
InChIInChI=1S/C16H26/c1-3-5-8-12-15(11-6-4-2)16-13-9-7-10-14-16/h7,9-10,13-15H,3-6,8,11-12H2,1-2H3
InChIKeyCDOBABYRHNVZQG-UHFFFAOYSA-N
MW218.38 g/mol
LogP5.54
Rot. Bonds8

About decan-5-ylbenzene

decan-5-ylbenzene (PubChem CID 20657) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is decan-5-ylbenzene.

Molecular Properties

Compound Namedecan-5-ylbenzene
PubChem CID20657
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Namedecan-5-ylbenzene
SMILESCCCCCC(CCCC)c1ccccc1
InChIInChI=1S/C16H26/c1-3-5-8-12-15(11-6-4-2)16-13-9-7-10-14-16/h7,9-10,13-15H,3-6,8,11-12H2,1-2H3
InChIKeyCDOBABYRHNVZQG-UHFFFAOYSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.38
LogP ≤ 55.54
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 decan-5-ylbenzene?
The IUPAC name of decan-5-ylbenzene (CID 20657) is decan-5-ylbenzene.
What is the SMILES notation for decan-5-ylbenzene?
The canonical SMILES for decan-5-ylbenzene is CCCCCC(CCCC)c1ccccc1.
What is the InChIKey of decan-5-ylbenzene?
The InChIKey is CDOBABYRHNVZQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-3-5-8-12-15(11-6-4-2)16-13-9-7-10-14-16/h7,9-10,13-15H,3-6,8,11-12H2,1-2H3.
What are the key properties of decan-5-ylbenzene?
decan-5-ylbenzene has a molecular weight of 218.38 g/mol, XLogP of 5.54, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for decan-5-ylbenzene is sourced from PubChem (CID 20657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).