1,2-dihexyl-3-methylbenzene

C19H32 — CID 15920121

IUPAC1,2-dihexyl-3-methylbenzene
SMILESCCCCCCc1cccc(C)c1CCCCCC
InChIInChI=1S/C19H32/c1-4-6-8-10-14-18-15-12-13-17(3)19(18)16-11-9-7-5-2/h12-13,15H,4-11,14,16H2,1-3H3
InChIKeyRXUCANIYIXQZFZ-UHFFFAOYSA-N
MW260.46 g/mol
LogP6.24
Rot. Bonds10

About 1,2-dihexyl-3-methylbenzene

1,2-dihexyl-3-methylbenzene (PubChem CID 15920121) has the molecular formula C19H32 and a molecular weight of 260.46 g/mol. Its IUPAC name is 1,2-dihexyl-3-methylbenzene.

Molecular Properties

Compound Name1,2-dihexyl-3-methylbenzene
PubChem CID15920121
Molecular FormulaC19H32
Molecular Weight260.46 g/mol
Exact Mass260.25
IUPAC Name1,2-dihexyl-3-methylbenzene
SMILESCCCCCCc1cccc(C)c1CCCCCC
InChIInChI=1S/C19H32/c1-4-6-8-10-14-18-15-12-13-17(3)19(18)16-11-9-7-5-2/h12-13,15H,4-11,14,16H2,1-3H3
InChIKeyRXUCANIYIXQZFZ-UHFFFAOYSA-N
XLogP6.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.46
LogP ≤ 56.24
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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Related Compounds

2-butyl-1,3-di(tetracosyl)benzene
CID 91602515
1,2-dibutyl-3-dodecylbenzene
CID 91050964
1-dodecyl-2-octyl-3-tridecylbenzene
CID 175505104
1,2,3-tri(icosyl)benzene
CID 90987509
2-butyl-1-octyl-3-propylbenzene
CID 141216645
1-dodecyl-2-pentyl-3-propylbenzene
CID 91255551
3-butyl-2-hexylphenol
CID 66867063
2-butyl-3-hexylphenol
CID 141346396
1-ethyl-2,3-dihexadecylbenzene
CID 154356590
1-[(2-methylphenyl)methyl]-2,3-dioctylbenzene
CID 173103678
1,2-dipentylbenzene;1,2,3-tripentylbenzene
CID 161479121
2-propyl-1,3-di(tricosyl)benzene
CID 90723374

Frequently Asked Questions

What is the IUPAC name of 1,2-dihexyl-3-methylbenzene?
The IUPAC name of 1,2-dihexyl-3-methylbenzene (CID 15920121) is 1,2-dihexyl-3-methylbenzene.
What is the SMILES notation for 1,2-dihexyl-3-methylbenzene?
The canonical SMILES for 1,2-dihexyl-3-methylbenzene is CCCCCCc1cccc(C)c1CCCCCC.
What is the InChIKey of 1,2-dihexyl-3-methylbenzene?
The InChIKey is RXUCANIYIXQZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32/c1-4-6-8-10-14-18-15-12-13-17(3)19(18)16-11-9-7-5-2/h12-13,15H,4-11,14,16H2,1-3H3.
What are the key properties of 1,2-dihexyl-3-methylbenzene?
1,2-dihexyl-3-methylbenzene has a molecular weight of 260.46 g/mol, XLogP of 6.24, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihexyl-3-methylbenzene is sourced from PubChem (CID 15920121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).