1-butyl-4-nonylbenzene

C19H32 — CID 59545302

IUPAC1-butyl-4-nonylbenzene
SMILESCCCCCCCCCc1ccc(CCCC)cc1
InChIInChI=1S/C19H32/c1-3-5-7-8-9-10-11-13-19-16-14-18(15-17-19)12-6-4-2/h14-17H,3-13H2,1-2H3
InChIKeyTZEIATBWLQWDLR-UHFFFAOYSA-N
MW260.46 g/mol
LogP6.32
Rot. Bonds11

About 1-butyl-4-nonylbenzene

1-butyl-4-nonylbenzene (PubChem CID 59545302) has the molecular formula C19H32 and a molecular weight of 260.46 g/mol. Its IUPAC name is 1-butyl-4-nonylbenzene.

Molecular Properties

Compound Name1-butyl-4-nonylbenzene
PubChem CID59545302
Molecular FormulaC19H32
Molecular Weight260.46 g/mol
Exact Mass260.25
IUPAC Name1-butyl-4-nonylbenzene
SMILESCCCCCCCCCc1ccc(CCCC)cc1
InChIInChI=1S/C19H32/c1-3-5-7-8-9-10-11-13-19-16-14-18(15-17-19)12-6-4-2/h14-17H,3-13H2,1-2H3
InChIKeyTZEIATBWLQWDLR-UHFFFAOYSA-N
XLogP6.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.46
LogP ≤ 56.32
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-ethyl-4-octacosylbenzene
CID 175218304
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
1-methyl-4-octylbenzene
CID 11052746
CID 59759292
CID 59759292
1-bromo-4-dodecylbenzene
CID 15120506
1-bromo-4-hexadecylbenzene
CID 598602
(4-undecylphenyl)methanethiol
CID 152658546
CID 59957588
CID 59957588
1-iodo-4-octadecylbenzene
CID 141122271
bis(4-hexylphenyl)tin
CID 177496129
1-N,1-N,4-N,4-N-tetrakis(4-octylphenyl)benzene-1,4-diamine
CID 59470455
4-dodecylaniline;nonadecane
CID 155059812

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-nonylbenzene?
The IUPAC name of 1-butyl-4-nonylbenzene (CID 59545302) is 1-butyl-4-nonylbenzene.
What is the SMILES notation for 1-butyl-4-nonylbenzene?
The canonical SMILES for 1-butyl-4-nonylbenzene is CCCCCCCCCc1ccc(CCCC)cc1.
What is the InChIKey of 1-butyl-4-nonylbenzene?
The InChIKey is TZEIATBWLQWDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32/c1-3-5-7-8-9-10-11-13-19-16-14-18(15-17-19)12-6-4-2/h14-17H,3-13H2,1-2H3.
What are the key properties of 1-butyl-4-nonylbenzene?
1-butyl-4-nonylbenzene has a molecular weight of 260.46 g/mol, XLogP of 6.32, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-nonylbenzene is sourced from PubChem (CID 59545302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).