1-butyl-4-propan-2-ylbenzene;hexane

C19H34 — CID 142937575

IUPAC1-butyl-4-propan-2-ylbenzene;hexane
SMILESCCCCCC.CCCCc1ccc(C(C)C)cc1
InChIInChI=1S/C13H20.C6H14/c1-4-5-6-12-7-9-13(10-8-12)11(2)3;1-3-5-6-4-2/h7-11H,4-6H2,1-3H3;3-6H2,1-2H3
InChIKeyKLVUXGNVOMWKLM-UHFFFAOYSA-N
MW262.48 g/mol
LogP6.74
Rot. Bonds7

About 1-butyl-4-propan-2-ylbenzene;hexane

1-butyl-4-propan-2-ylbenzene;hexane (PubChem CID 142937575) has the molecular formula C19H34 and a molecular weight of 262.48 g/mol. Its IUPAC name is 1-butyl-4-propan-2-ylbenzene;hexane.

Molecular Properties

Compound Name1-butyl-4-propan-2-ylbenzene;hexane
PubChem CID142937575
Molecular FormulaC19H34
Molecular Weight262.48 g/mol
Exact Mass262.27
IUPAC Name1-butyl-4-propan-2-ylbenzene;hexane
SMILESCCCCCC.CCCCc1ccc(C(C)C)cc1
InChIInChI=1S/C13H20.C6H14/c1-4-5-6-12-7-9-13(10-8-12)11(2)3;1-3-5-6-4-2/h7-11H,4-6H2,1-3H3;3-6H2,1-2H3
InChIKeyKLVUXGNVOMWKLM-UHFFFAOYSA-N
XLogP6.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.48
LogP ≤ 56.74
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-butyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;methane
CID 176687578
1-heptyl-4-(4-propan-2-ylphenyl)benzene
CID 58842076
4-butylbenzenethiol;4-propan-2-ylbenzenethiol
CID 162129320
1-butyl-4-ethylbenzene;ethane;1-ethyl-4-propan-2-ylbenzene;methane
CID 176687496
cumene;1-hexyl-4-propan-2-ylbenzene;methane;propane
CID 157275582
1-nonyl-4-(4-propan-2-ylphenyl)iodanuidylbenzene
CID 151164547
1-butyl-4-propan-2-ylbenzene;ethane;4-(4-hydroxyphenyl)phenol
CID 158673942
1-N,4-N-bis(4-butylphenyl)-4-N-(4-tert-butylphenyl)-1-N-(4-propan-2-ylphenyl)benzene-1,4-diamine
CID 70822243
1-butyl-4-nonylbenzene
CID 59545302
bis(4-butylphenyl)methylphosphane
CID 90110025
1-butyl-4-(1-methoxyethyl)benzene
CID 143934734
(1S)-1-(4-octylphenyl)ethanol
CID 67859464

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-propan-2-ylbenzene;hexane?
The IUPAC name of 1-butyl-4-propan-2-ylbenzene;hexane (CID 142937575) is 1-butyl-4-propan-2-ylbenzene;hexane.
What is the SMILES notation for 1-butyl-4-propan-2-ylbenzene;hexane?
The canonical SMILES for 1-butyl-4-propan-2-ylbenzene;hexane is CCCCCC.CCCCc1ccc(C(C)C)cc1.
What is the InChIKey of 1-butyl-4-propan-2-ylbenzene;hexane?
The InChIKey is KLVUXGNVOMWKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20.C6H14/c1-4-5-6-12-7-9-13(10-8-12)11(2)3;1-3-5-6-4-2/h7-11H,4-6H2,1-3H3;3-6H2,1-2H3.
What are the key properties of 1-butyl-4-propan-2-ylbenzene;hexane?
1-butyl-4-propan-2-ylbenzene;hexane has a molecular weight of 262.48 g/mol, XLogP of 6.74, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-propan-2-ylbenzene;hexane is sourced from PubChem (CID 142937575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).