tridecan-7-ylbenzene

C19H32 — CID 16980

IUPACtridecan-7-ylbenzene
SMILESCCCCCCC(CCCCCC)c1ccccc1
InChIInChI=1S/C19H32/c1-3-5-7-10-14-18(15-11-8-6-4-2)19-16-12-9-13-17-19/h9,12-13,16-18H,3-8,10-11,14-15H2,1-2H3
InChIKeyIMXZNWPPLCVUDT-UHFFFAOYSA-N
MW260.46 g/mol
LogP6.71
Rot. Bonds11

About tridecan-7-ylbenzene

tridecan-7-ylbenzene (PubChem CID 16980) has the molecular formula C19H32 and a molecular weight of 260.46 g/mol. Its IUPAC name is tridecan-7-ylbenzene.

Molecular Properties

Compound Nametridecan-7-ylbenzene
PubChem CID16980
Molecular FormulaC19H32
Molecular Weight260.46 g/mol
Exact Mass260.25
IUPAC Nametridecan-7-ylbenzene
SMILESCCCCCCC(CCCCCC)c1ccccc1
InChIInChI=1S/C19H32/c1-3-5-7-10-14-18(15-11-8-6-4-2)19-16-12-9-13-17-19/h9,12-13,16-18H,3-8,10-11,14-15H2,1-2H3
InChIKeyIMXZNWPPLCVUDT-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'}

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Frequently Asked Questions

What is the IUPAC name of tridecan-7-ylbenzene?
The IUPAC name of tridecan-7-ylbenzene (CID 16980) is tridecan-7-ylbenzene.
What is the SMILES notation for tridecan-7-ylbenzene?
The canonical SMILES for tridecan-7-ylbenzene is CCCCCCC(CCCCCC)c1ccccc1.
What is the InChIKey of tridecan-7-ylbenzene?
The InChIKey is IMXZNWPPLCVUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32/c1-3-5-7-10-14-18(15-11-8-6-4-2)19-16-12-9-13-17-19/h9,12-13,16-18H,3-8,10-11,14-15H2,1-2H3.
What are the key properties of tridecan-7-ylbenzene?
tridecan-7-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-7-ylbenzene is sourced from PubChem (CID 16980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).