tridecan-2-ylbenzene

C19H32 — CID 20636

IUPACtridecan-2-ylbenzene
SMILESCCCCCCCCCCCC(C)c1ccccc1
InChIInChI=1S/C19H32/c1-3-4-5-6-7-8-9-10-12-15-18(2)19-16-13-11-14-17-19/h11,13-14,16-18H,3-10,12,15H2,1-2H3
InChIKeyFCXPVFLEDIQLLO-UHFFFAOYSA-N
MW260.46 g/mol
LogP6.71
Rot. Bonds11

About tridecan-2-ylbenzene

tridecan-2-ylbenzene (PubChem CID 20636) has the molecular formula C19H32 and a molecular weight of 260.46 g/mol. Its IUPAC name is tridecan-2-ylbenzene.

Molecular Properties

Compound Nametridecan-2-ylbenzene
PubChem CID20636
Molecular FormulaC19H32
Molecular Weight260.46 g/mol
Exact Mass260.25
IUPAC Nametridecan-2-ylbenzene
SMILESCCCCCCCCCCCC(C)c1ccccc1
InChIInChI=1S/C19H32/c1-3-4-5-6-7-8-9-10-12-15-18(2)19-16-13-11-14-17-19/h11,13-14,16-18H,3-10,12,15H2,1-2H3
InChIKeyFCXPVFLEDIQLLO-UHFFFAOYSA-N
XLogP6.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.46
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tridecan-2-ylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
Cumene
CID 7406
Butylbenzene
CID 7705
1-Ethenyl-4-methylbenzene
CID 12161

Frequently Asked Questions

What is the IUPAC name of tridecan-2-ylbenzene?
The IUPAC name of tridecan-2-ylbenzene (CID 20636) is tridecan-2-ylbenzene.
What is the SMILES notation for tridecan-2-ylbenzene?
The canonical SMILES for tridecan-2-ylbenzene is CCCCCCCCCCCC(C)c1ccccc1.
What is the InChIKey of tridecan-2-ylbenzene?
The InChIKey is FCXPVFLEDIQLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32/c1-3-4-5-6-7-8-9-10-12-15-18(2)19-16-13-11-14-17-19/h11,13-14,16-18H,3-10,12,15H2,1-2H3.
What are the key properties of tridecan-2-ylbenzene?
tridecan-2-ylbenzene has a molecular weight of 260.46 g/mol, XLogP of 6.71, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tridecan-2-ylbenzene is sourced from PubChem (CID 20636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).