1-methyl-2-(4-propylnonan-4-yl)benzene

C19H32 — CID 173020959

IUPAC1-methyl-2-(4-propylnonan-4-yl)benzene
SMILESCCCCCC(CCC)(CCC)c1ccccc1C
InChIInChI=1S/C19H32/c1-5-8-11-16-19(14-6-2,15-7-3)18-13-10-9-12-17(18)4/h9-10,12-13H,5-8,11,14-16H2,1-4H3
InChIKeyKGXZTEANFKVFJQ-UHFFFAOYSA-N
MW260.47 g/mol
LogP6.41
Rot. Bonds9

About 1-methyl-2-(4-propylnonan-4-yl)benzene

1-methyl-2-(4-propylnonan-4-yl)benzene (PubChem CID 173020959) has the molecular formula C19H32 and a molecular weight of 260.47 g/mol. Its IUPAC name is 1-methyl-2-(4-propylnonan-4-yl)benzene.

Molecular Properties

Compound Name1-methyl-2-(4-propylnonan-4-yl)benzene
PubChem CID173020959
Molecular FormulaC19H32
Molecular Weight260.47 g/mol
Exact Mass260.25
IUPAC Name1-methyl-2-(4-propylnonan-4-yl)benzene
SMILESCCCCCC(CCC)(CCC)c1ccccc1C
InChIInChI=1S/C19H32/c1-5-8-11-16-19(14-6-2,15-7-3)18-13-10-9-12-17(18)4/h9-10,12-13H,5-8,11,14-16H2,1-4H3
InChIKeyKGXZTEANFKVFJQ-UHFFFAOYSA-N
XLogP6.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.47
LogP ≤ 56.41
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-(5-butyldecan-5-yl)-2-methylbenzene
CID 173021095
1-methyl-2-(2-methylnonan-2-yl)benzene
CID 173398829
1-(2-chlorododecan-2-yl)-2-methylbenzene
CID 140998406
tetrakis(hexane);tris(1,2-xylene)
CID 173431292
2,6-bis(5-propylnonan-5-yl)phenol
CID 174819612
2-(6-ethylundecan-6-yl)phenol
CID 87183650
2-(8-ethylpentadecan-8-yl)phenol
CID 87184015
2-(11-ethylhenicosan-11-yl)phenol
CID 87183827
1,2-dimethyl-3-(2-methylheptan-2-yl)benzene
CID 175950206
2-(2-methylphenyl)-N-(2-methylpropyl)-2-propylpentan-1-amine
CID 63516669
5-butylhexadecan-5-ylbenzene
CID 173084700
2-(2-fluorophenyl)-2-pentylpropane-1,3-diol
CID 79447348

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(4-propylnonan-4-yl)benzene?
The IUPAC name of 1-methyl-2-(4-propylnonan-4-yl)benzene (CID 173020959) is 1-methyl-2-(4-propylnonan-4-yl)benzene.
What is the SMILES notation for 1-methyl-2-(4-propylnonan-4-yl)benzene?
The canonical SMILES for 1-methyl-2-(4-propylnonan-4-yl)benzene is CCCCCC(CCC)(CCC)c1ccccc1C.
What is the InChIKey of 1-methyl-2-(4-propylnonan-4-yl)benzene?
The InChIKey is KGXZTEANFKVFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32/c1-5-8-11-16-19(14-6-2,15-7-3)18-13-10-9-12-17(18)4/h9-10,12-13H,5-8,11,14-16H2,1-4H3.
What are the key properties of 1-methyl-2-(4-propylnonan-4-yl)benzene?
1-methyl-2-(4-propylnonan-4-yl)benzene has a molecular weight of 260.47 g/mol, XLogP of 6.41, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(4-propylnonan-4-yl)benzene is sourced from PubChem (CID 173020959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).