1,3-dibutyl-2-ethylbenzene

C16H26 — CID 22713046

IUPAC1,3-dibutyl-2-ethylbenzene
SMILESCCCCc1cccc(CCCC)c1CC
InChIInChI=1S/C16H26/c1-4-7-10-14-12-9-13-15(11-8-5-2)16(14)6-3/h9,12-13H,4-8,10-11H2,1-3H3
InChIKeyYDHDVPGLQBNKDK-UHFFFAOYSA-N
MW218.38 g/mol
LogP4.93
Rot. Bonds7

About 1,3-dibutyl-2-ethylbenzene

1,3-dibutyl-2-ethylbenzene (PubChem CID 22713046) has the molecular formula C16H26 and a molecular weight of 218.38 g/mol. Its IUPAC name is 1,3-dibutyl-2-ethylbenzene.

Molecular Properties

Compound Name1,3-dibutyl-2-ethylbenzene
PubChem CID22713046
Molecular FormulaC16H26
Molecular Weight218.38 g/mol
Exact Mass218.20
IUPAC Name1,3-dibutyl-2-ethylbenzene
SMILESCCCCc1cccc(CCCC)c1CC
InChIInChI=1S/C16H26/c1-4-7-10-14-12-9-13-15(11-8-5-2)16(14)6-3/h9,12-13H,4-8,10-11H2,1-3H3
InChIKeyYDHDVPGLQBNKDK-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.38
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3-tributylbenzene;hydrate
CID 172716323
2-butyl-1,3-di(tetracosyl)benzene
CID 91602515
1,2-dibutyl-3-dodecylbenzene
CID 91050964
(2,3-dibutylphenyl)phosphane
CID 19901991
1,2,3-tri(icosyl)benzene
CID 90987509
1-dodecyl-2-octyl-3-tridecylbenzene
CID 175505104
2-butyl-1-octyl-3-propylbenzene
CID 141216645
1-ethyl-2,3-dihexadecylbenzene
CID 154356590
1-ethyl-3-pentyl-2-propylbenzene
CID 173025863
1,2-dihexyl-3-methylbenzene
CID 15920121
(2,3-dibutylphenyl)methylphosphane
CID 21314355
1,2-dipentylbenzene;1,2,3-tripentylbenzene
CID 161479121

Frequently Asked Questions

What is the IUPAC name of 1,3-dibutyl-2-ethylbenzene?
The IUPAC name of 1,3-dibutyl-2-ethylbenzene (CID 22713046) is 1,3-dibutyl-2-ethylbenzene.
What is the SMILES notation for 1,3-dibutyl-2-ethylbenzene?
The canonical SMILES for 1,3-dibutyl-2-ethylbenzene is CCCCc1cccc(CCCC)c1CC.
What is the InChIKey of 1,3-dibutyl-2-ethylbenzene?
The InChIKey is YDHDVPGLQBNKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26/c1-4-7-10-14-12-9-13-15(11-8-5-2)16(14)6-3/h9,12-13H,4-8,10-11H2,1-3H3.
What are the key properties of 1,3-dibutyl-2-ethylbenzene?
1,3-dibutyl-2-ethylbenzene has a molecular weight of 218.38 g/mol, XLogP of 4.93, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibutyl-2-ethylbenzene is sourced from PubChem (CID 22713046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).