2-butyl-1-propan-2-yl-3-propylbenzene

C16H26 — CID 173336292

IUPAC2-butyl-1-propan-2-yl-3-propylbenzene
SMILESCCCCc1c(CCC)cccc1C(C)C
InChIInChI=1S/C16H26/c1-5-7-11-16-14(9-6-2)10-8-12-15(16)13(3)4/h8,10,12-13H,5-7,9,11H2,1-4H3
InChIKeyFQMFQSJCBLSAJL-UHFFFAOYSA-N
MW218.38 g/mol
LogP5.11
Rot. Bonds6

About 2-butyl-1-propan-2-yl-3-propylbenzene

2-butyl-1-propan-2-yl-3-propylbenzene (PubChem CID 173336292) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 2-butyl-1-propan-2-yl-3-propylbenzene.

Molecular Properties

Compound Name2-butyl-1-propan-2-yl-3-propylbenzene
PubChem CID173336292
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name2-butyl-1-propan-2-yl-3-propylbenzene
SMILESCCCCc1c(CCC)cccc1C(C)C
InChIInChI=1S/C16H26/c1-5-7-11-16-14(9-6-2)10-8-12-15(16)13(3)4/h8,10,12-13H,5-7,9,11H2,1-4H3
InChIKeyFQMFQSJCBLSAJL-UHFFFAOYSA-N
XLogP5.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500218.38
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-2-hexyl-3-propan-2-ylbenzene
CID 141013898
1-methyl-2-pentyl-3-propan-2-ylbenzene
CID 173336481
CID 66774024
CID 66774024
1-(3,3-dimethylbutyl)-3-propan-2-yl-2-propylbenzene;ethane
CID 144751818
2-butyl-1-octyl-3-propylbenzene
CID 141216645
1,2,3-tributylbenzene;hydrate
CID 172716323
1,2-di(propan-2-yl)-3-propylbenzene;hydrogen peroxide
CID 172751409
1-fluoro-2-pentyl-3-propan-2-ylbenzene
CID 173336304
1-chloro-2-pentyl-3-propan-2-ylbenzene
CID 173336336
1-dodecyl-2-pentyl-3-propylbenzene
CID 91255551
1-(2,3-dipropylphenyl)tetradecan-1-amine
CID 21316150
1,2-di(nonyl)-3-tritetracontan-11-ylbenzene
CID 90921779

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-propan-2-yl-3-propylbenzene?
The IUPAC name of 2-butyl-1-propan-2-yl-3-propylbenzene (CID 173336292) is 2-butyl-1-propan-2-yl-3-propylbenzene.
What is the SMILES notation for 2-butyl-1-propan-2-yl-3-propylbenzene?
The canonical SMILES for 2-butyl-1-propan-2-yl-3-propylbenzene is CCCCc1c(CCC)cccc1C(C)C.
What is the InChIKey of 2-butyl-1-propan-2-yl-3-propylbenzene?
The InChIKey is FQMFQSJCBLSAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-5-7-11-16-14(9-6-2)10-8-12-15(16)13(3)4/h8,10,12-13H,5-7,9,11H2,1-4H3.
What are the key properties of 2-butyl-1-propan-2-yl-3-propylbenzene?
2-butyl-1-propan-2-yl-3-propylbenzene has a molecular weight of 218.38 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-propan-2-yl-3-propylbenzene is sourced from PubChem (CID 173336292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).