2-dodecylbenzenediazonium

C18H29N2+ — CID 22595305

IUPAC2-dodecylbenzenediazonium
SMILESCCCCCCCCCCCCc1ccccc1[N+]#N
InChIInChI=1S/C18H29N2/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)20-19/h12-13,15-16H,2-11,14H2,1H3/q+1
InChIKeyGERULCJIMSDCMK-UHFFFAOYSA-N
MW273.44 g/mol
LogP6.63
Rot. Bonds11

About 2-dodecylbenzenediazonium

2-dodecylbenzenediazonium (PubChem CID 22595305) has the molecular formula C18H29N2+ and a molecular weight of 273.44 g/mol. Its IUPAC name is 2-dodecylbenzenediazonium.

Molecular Properties

Compound Name2-dodecylbenzenediazonium
PubChem CID22595305
Molecular FormulaC18H29N2+
Molecular Weight273.44 g/mol
Exact Mass273.23
IUPAC Name2-dodecylbenzenediazonium
SMILESCCCCCCCCCCCCc1ccccc1[N+]#N
InChIInChI=1S/C18H29N2/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)20-19/h12-13,15-16H,2-11,14H2,1H3/q+1
InChIKeyGERULCJIMSDCMK-UHFFFAOYSA-N
XLogP6.63
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.44
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1,2-di(undecyl)benzene
CID 3019479
1,2-dihexylbenzene;hydrate
CID 172833093
(2-heptylphenyl)methanamine
CID 57355618
2-tetradecylaniline
CID 22218918
5-(2-pentylphenyl)pentan-1-amine
CID 54207535
1-ethyl-2-henicosylbenzene
CID 141174443
2-decylphenol;hydrazine
CID 159983030
2-dodecylphenol
CID 160834917

Frequently Asked Questions

What is the IUPAC name of 2-dodecylbenzenediazonium?
The IUPAC name of 2-dodecylbenzenediazonium (CID 22595305) is 2-dodecylbenzenediazonium.
What is the SMILES notation for 2-dodecylbenzenediazonium?
The canonical SMILES for 2-dodecylbenzenediazonium is CCCCCCCCCCCCc1ccccc1[N+]#N.
What is the InChIKey of 2-dodecylbenzenediazonium?
The InChIKey is GERULCJIMSDCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N2/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)20-19/h12-13,15-16H,2-11,14H2,1H3/q+1.
What are the key properties of 2-dodecylbenzenediazonium?
2-dodecylbenzenediazonium has a molecular weight of 273.44 g/mol, XLogP of 6.63, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodecylbenzenediazonium is sourced from PubChem (CID 22595305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).