1-methyl-2-nonylbenzene;2H-triazole

C18H29N3 — CID 174954534

IUPAC1-methyl-2-nonylbenzene;2H-triazole
SMILESCCCCCCCCCc1ccccc1C.c1cn[nH]n1
InChIInChI=1S/C16H26.C2H3N3/c1-3-4-5-6-7-8-9-13-16-14-11-10-12-15(16)2;1-2-4-5-3-1/h10-12,14H,3-9,13H2,1-2H3;1-2H,(H,3,4,5)
InChIKeyAGLYWXFJQFTDJB-UHFFFAOYSA-N
MW287.45 g/mol
LogP5.09
Rot. Bonds8

About 1-methyl-2-nonylbenzene;2H-triazole

1-methyl-2-nonylbenzene;2H-triazole (PubChem CID 174954534) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-methyl-2-nonylbenzene;2H-triazole.

Molecular Properties

Compound Name1-methyl-2-nonylbenzene;2H-triazole
PubChem CID174954534
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name1-methyl-2-nonylbenzene;2H-triazole
SMILESCCCCCCCCCc1ccccc1C.c1cn[nH]n1
InChIInChI=1S/C16H26.C2H3N3/c1-3-4-5-6-7-8-9-13-16-14-11-10-12-15(16)2;1-2-4-5-3-1/h10-12,14H,3-9,13H2,1-2H3;1-2H,(H,3,4,5)
InChIKeyAGLYWXFJQFTDJB-UHFFFAOYSA-N
XLogP5.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.45
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-pentylbenzene
CID 524553
sodium;1-heptadecyl-2-methylbenzene;hydride
CID 173344564
1-methyl-2-[18-(2-methylphenyl)octadecyl]benzene
CID 22919877
1-butyl-2-methylbenzene;ethane;propane
CID 142102479
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-ethyl-2-henicosylbenzene
CID 141174443
1,2-dihexylbenzene;hydrate
CID 172833093
1-[(2-methylphenyl)methyl]-2,3-dioctylbenzene
CID 173103678

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-nonylbenzene;2H-triazole?
The IUPAC name of 1-methyl-2-nonylbenzene;2H-triazole (CID 174954534) is 1-methyl-2-nonylbenzene;2H-triazole.
What is the SMILES notation for 1-methyl-2-nonylbenzene;2H-triazole?
The canonical SMILES for 1-methyl-2-nonylbenzene;2H-triazole is CCCCCCCCCc1ccccc1C.c1cn[nH]n1.
What is the InChIKey of 1-methyl-2-nonylbenzene;2H-triazole?
The InChIKey is AGLYWXFJQFTDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26.C2H3N3/c1-3-4-5-6-7-8-9-13-16-14-11-10-12-15(16)2;1-2-4-5-3-1/h10-12,14H,3-9,13H2,1-2H3;1-2H,(H,3,4,5).
What are the key properties of 1-methyl-2-nonylbenzene;2H-triazole?
1-methyl-2-nonylbenzene;2H-triazole has a molecular weight of 287.45 g/mol, XLogP of 5.09, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-nonylbenzene;2H-triazole is sourced from PubChem (CID 174954534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).