2,4-dimethyl-1-undecan-5-ylbenzene

C19H32 — CID 123380808

IUPAC2,4-dimethyl-1-undecan-5-ylbenzene
SMILESCCCCCCC(CCCC)c1ccc(C)cc1C
InChIInChI=1S/C19H32/c1-5-7-9-10-12-18(11-8-6-2)19-14-13-16(3)15-17(19)4/h13-15,18H,5-12H2,1-4H3
InChIKeyHAPLKGJTPVAIDC-UHFFFAOYSA-N
MW260.46 g/mol
LogP6.55
Rot. Bonds9

About 2,4-dimethyl-1-undecan-5-ylbenzene

2,4-dimethyl-1-undecan-5-ylbenzene (PubChem CID 123380808) has the molecular formula C19H32 and a molecular weight of 260.46 g/mol. Its IUPAC name is 2,4-dimethyl-1-undecan-5-ylbenzene.

Molecular Properties

Compound Name2,4-dimethyl-1-undecan-5-ylbenzene
PubChem CID123380808
Molecular FormulaC19H32
Molecular Weight260.46 g/mol
Exact Mass260.25
IUPAC Name2,4-dimethyl-1-undecan-5-ylbenzene
SMILESCCCCCCC(CCCC)c1ccc(C)cc1C
InChIInChI=1S/C19H32/c1-5-7-9-10-12-18(11-8-6-2)19-14-13-16(3)15-17(19)4/h13-15,18H,5-12H2,1-4H3
InChIKeyHAPLKGJTPVAIDC-UHFFFAOYSA-N
XLogP6.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.46
LogP ≤ 56.55
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

1-heptan-4-yl-2,4-dimethylbenzene
CID 142336118
1-(2,4-dimethylphenyl)-N-methylundecan-1-amine
CID 115845807
1-(2,4-dimethylphenyl)undecylhydrazine
CID 105298321
1-(1-chloropentyl)-2,4-dimethylbenzene
CID 63430265
16-(2,4-dimethylphenyl)octadecanoic acid
CID 54024373
3-(2,4-dimethylphenyl)-N-methylhexan-1-amine
CID 112507893
2-(2,4-dimethylphenyl)hexanoic acid
CID 69334667
4-nonadecan-5-ylbenzene-1,3-diol
CID 171063201
1-decan-3-yl-2-methylbenzene
CID 152506171
1-(2,4-dimethylphenyl)-2-octoxyethanamine
CID 43127891
N-[1-(2,4-dimethylphenyl)ethyl]octan-4-amine
CID 106023750
1-methyl-4-undecan-6-ylbenzene
CID 54207407

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-undecan-5-ylbenzene?
The IUPAC name of 2,4-dimethyl-1-undecan-5-ylbenzene (CID 123380808) is 2,4-dimethyl-1-undecan-5-ylbenzene.
What is the SMILES notation for 2,4-dimethyl-1-undecan-5-ylbenzene?
The canonical SMILES for 2,4-dimethyl-1-undecan-5-ylbenzene is CCCCCCC(CCCC)c1ccc(C)cc1C.
What is the InChIKey of 2,4-dimethyl-1-undecan-5-ylbenzene?
The InChIKey is HAPLKGJTPVAIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32/c1-5-7-9-10-12-18(11-8-6-2)19-14-13-16(3)15-17(19)4/h13-15,18H,5-12H2,1-4H3.
What are the key properties of 2,4-dimethyl-1-undecan-5-ylbenzene?
2,4-dimethyl-1-undecan-5-ylbenzene has a molecular weight of 260.46 g/mol, XLogP of 6.55, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-undecan-5-ylbenzene is sourced from PubChem (CID 123380808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).