1-[(E)-but-2-en-2-yl]-4-ethylbenzene

C12H16 — CID 19784779

IUPAC1-[(E)-but-2-en-2-yl]-4-ethylbenzene
SMILESC/C=C(\C)c1ccc(CC)cc1
InChIInChI=1S/C12H16/c1-4-10(3)12-8-6-11(5-2)7-9-12/h4,6-9H,5H2,1-3H3/b10-4+
InChIKeyOOXBENPRXVMFHG-ONNFQVAWSA-N
MW160.26 g/mol
LogP3.67
Rot. Bonds2

About 1-[(E)-but-2-en-2-yl]-4-ethylbenzene

1-[(E)-but-2-en-2-yl]-4-ethylbenzene (PubChem CID 19784779) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is 1-[(E)-but-2-en-2-yl]-4-ethylbenzene.

Molecular Properties

Compound Name1-[(E)-but-2-en-2-yl]-4-ethylbenzene
PubChem CID19784779
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name1-[(E)-but-2-en-2-yl]-4-ethylbenzene
SMILESC/C=C(\C)c1ccc(CC)cc1
InChIInChI=1S/C12H16/c1-4-10(3)12-8-6-11(5-2)7-9-12/h4,6-9H,5H2,1-3H3/b10-4+
InChIKeyOOXBENPRXVMFHG-ONNFQVAWSA-N
XLogP3.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-4-pent-2-en-2-ylbenzene
CID 123446481
ethyl 4-[(Z)-but-2-en-2-yl]benzoate
CID 145025321
1-[(Z)-but-2-en-2-yl]-4-methylbenzene
CID 58843251
1-but-2-en-2-yl-4-methylbenzene
CID 12583115
[(E)-but-2-en-2-yl]benzene;ethane;propane
CID 144534728
2-[2-(4-ethylphenyl)prop-1-enyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 130951837
1-ethyl-4-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]benzene
CID 142017395
1-bromo-4-but-2-en-2-ylbenzene
CID 72775371
1-ethyl-4-(4-methylpenta-1,3-dien-3-yl)benzene
CID 143743129
(Z)-but-2-ene;4-ethylbenzamide
CID 143666599
1-(4-ethylphenyl)ethanone;formaldehyde
CID 143666715
alumane;1,4-diethylbenzene
CID 174296012

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-en-2-yl]-4-ethylbenzene?
The IUPAC name of 1-[(E)-but-2-en-2-yl]-4-ethylbenzene (CID 19784779) is 1-[(E)-but-2-en-2-yl]-4-ethylbenzene.
What is the SMILES notation for 1-[(E)-but-2-en-2-yl]-4-ethylbenzene?
The canonical SMILES for 1-[(E)-but-2-en-2-yl]-4-ethylbenzene is C/C=C(\C)c1ccc(CC)cc1.
What is the InChIKey of 1-[(E)-but-2-en-2-yl]-4-ethylbenzene?
The InChIKey is OOXBENPRXVMFHG-ONNFQVAWSA-N. The full InChI is InChI=1S/C12H16/c1-4-10(3)12-8-6-11(5-2)7-9-12/h4,6-9H,5H2,1-3H3/b10-4+.
What are the key properties of 1-[(E)-but-2-en-2-yl]-4-ethylbenzene?
1-[(E)-but-2-en-2-yl]-4-ethylbenzene has a molecular weight of 160.26 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-en-2-yl]-4-ethylbenzene is sourced from PubChem (CID 19784779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).