dodecylbenzene;pyridine

C23H35N — CID 174718010

IUPACdodecylbenzene;pyridine
SMILESCCCCCCCCCCCCc1ccccc1.c1ccncc1
InChIInChI=1S/C18H30.C5H5N/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;1-2-4-6-5-3-1/h11,13-14,16-17H,2-10,12,15H2,1H3;1-5H
InChIKeyZFFJYFDLJCLXKR-UHFFFAOYSA-N
MW325.54 g/mol
LogP7.23
Rot. Bonds11

About dodecylbenzene;pyridine

dodecylbenzene;pyridine (PubChem CID 174718010) has the molecular formula C23H35N and a molecular weight of 325.54 g/mol. Its IUPAC name is dodecylbenzene;pyridine.

Molecular Properties

Compound Namedodecylbenzene;pyridine
PubChem CID174718010
Molecular FormulaC23H35N
Molecular Weight325.54 g/mol
Exact Mass325.28
IUPAC Namedodecylbenzene;pyridine
SMILESCCCCCCCCCCCCc1ccccc1.c1ccncc1
InChIInChI=1S/C18H30.C5H5N/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;1-2-4-6-5-3-1/h11,13-14,16-17H,2-10,12,15H2,1H3;1-5H
InChIKeyZFFJYFDLJCLXKR-UHFFFAOYSA-N
XLogP7.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.54
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

octylbenzene
CID 16607
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347
hexylbenzene;hydrogen peroxide
CID 90001206
CID 67791041
CID 67791041
dodecylbenzene;sulfane
CID 20560423
azane;tetradecylbenzene
CID 70503489
sodium;hydride;pentadecylbenzene
CID 173461904
potassium;hydride;octadecylbenzene
CID 173344678
acetylene;dodecylbenzene;ethane
CID 91021097

Frequently Asked Questions

What is the IUPAC name of dodecylbenzene;pyridine?
The IUPAC name of dodecylbenzene;pyridine (CID 174718010) is dodecylbenzene;pyridine.
What is the SMILES notation for dodecylbenzene;pyridine?
The canonical SMILES for dodecylbenzene;pyridine is CCCCCCCCCCCCc1ccccc1.c1ccncc1.
What is the InChIKey of dodecylbenzene;pyridine?
The InChIKey is ZFFJYFDLJCLXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30.C5H5N/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;1-2-4-6-5-3-1/h11,13-14,16-17H,2-10,12,15H2,1H3;1-5H.
What are the key properties of dodecylbenzene;pyridine?
dodecylbenzene;pyridine has a molecular weight of 325.54 g/mol, XLogP of 7.23, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dodecylbenzene;pyridine is sourced from PubChem (CID 174718010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).