4-[(Z)-but-2-en-2-yl]-1,2-dibutylbenzene

C18H28 — CID 174661250

IUPAC4-[(Z)-but-2-en-2-yl]-1,2-dibutylbenzene
SMILESC/C=C(/C)c1ccc(CCCC)c(CCCC)c1
InChIInChI=1S/C18H28/c1-5-8-10-16-12-13-17(15(4)7-3)14-18(16)11-9-6-2/h7,12-14H,5-6,8-11H2,1-4H3/b15-7-
InChIKeyDFAZHDVGXQPOMU-CHHVJCJISA-N
MW244.42 g/mol
LogP5.80
Rot. Bonds7

About 4-[(Z)-but-2-en-2-yl]-1,2-dibutylbenzene

4-[(Z)-but-2-en-2-yl]-1,2-dibutylbenzene (PubChem CID 174661250) has the molecular formula C18H28 and a molecular weight of 244.42 g/mol. Its IUPAC name is 4-[(Z)-but-2-en-2-yl]-1,2-dibutylbenzene.

Molecular Properties

Compound Name4-[(Z)-but-2-en-2-yl]-1,2-dibutylbenzene
PubChem CID174661250
Molecular FormulaC18H28
Molecular Weight244.42 g/mol
Exact Mass244.22
IUPAC Name4-[(Z)-but-2-en-2-yl]-1,2-dibutylbenzene
SMILESC/C=C(/C)c1ccc(CCCC)c(CCCC)c1
InChIInChI=1S/C18H28/c1-5-8-10-16-12-13-17(15(4)7-3)14-18(16)11-9-6-2/h7,12-14H,5-6,8-11H2,1-4H3/b15-7-
InChIKeyDFAZHDVGXQPOMU-CHHVJCJISA-N
XLogP5.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.42
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-[2-(3,4-dibutylphenyl)prop-1-enyl]benzoic acid
CID 54164279
1-(3-but-3-enyl-4-butylphenyl)ethanone
CID 130327544
ethyl 3,4-dibutylbenzoate
CID 166060053
3,4-didodecylbenzoic acid
CID 71073316
4-[(E)-hept-3-en-4-yl]-1-pentyl-2-propylbenzene
CID 143116138
(E)-1-(3,4-dihexadecylphenyl)-3-[2-[[(E)-3-(3,4-dihexadecylphenyl)-3-oxoprop-1-enyl]amino]ethylamino]prop-2-en-1-one
CID 100952917
N,N'-bis(3,4-dibutylphenyl)ethane-1,2-diimine;palladium
CID 87911382
1,2-dibutyl-4-methoxybenzene
CID 153315966
1-N,2-N-bis(3,4-dibutylphenyl)propane-1,2-diimine;nickel
CID 87912035
2-(4-acetyl-2-butylphenyl)-1-(4-hydroxy-2-methylphenyl)ethanone
CID 144809292
2,3,8,9-tetrabutyltetracene
CID 102053257
CID 159940559
CID 159940559

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-but-2-en-2-yl]-1,2-dibutylbenzene?
The IUPAC name of 4-[(Z)-but-2-en-2-yl]-1,2-dibutylbenzene (CID 174661250) is 4-[(Z)-but-2-en-2-yl]-1,2-dibutylbenzene.
What is the SMILES notation for 4-[(Z)-but-2-en-2-yl]-1,2-dibutylbenzene?
The canonical SMILES for 4-[(Z)-but-2-en-2-yl]-1,2-dibutylbenzene is C/C=C(/C)c1ccc(CCCC)c(CCCC)c1.
What is the InChIKey of 4-[(Z)-but-2-en-2-yl]-1,2-dibutylbenzene?
The InChIKey is DFAZHDVGXQPOMU-CHHVJCJISA-N. The full InChI is InChI=1S/C18H28/c1-5-8-10-16-12-13-17(15(4)7-3)14-18(16)11-9-6-2/h7,12-14H,5-6,8-11H2,1-4H3/b15-7-.
What are the key properties of 4-[(Z)-but-2-en-2-yl]-1,2-dibutylbenzene?
4-[(Z)-but-2-en-2-yl]-1,2-dibutylbenzene has a molecular weight of 244.42 g/mol, XLogP of 5.80, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-but-2-en-2-yl]-1,2-dibutylbenzene is sourced from PubChem (CID 174661250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).