1-[(E)-but-2-en-2-yl]-2-propan-2-ylbenzene

C13H18 — CID 147553319

IUPAC1-[(E)-but-2-en-2-yl]-2-propan-2-ylbenzene
SMILESC/C=C(\C)c1ccccc1C(C)C
InChIInChI=1S/C13H18/c1-5-11(4)13-9-7-6-8-12(13)10(2)3/h5-10H,1-4H3/b11-5+
InChIKeyFREVZFVSNUJFBT-VZUCSPMQSA-N
MW174.29 g/mol
LogP4.23
Rot. Bonds2

About 1-[(E)-but-2-en-2-yl]-2-propan-2-ylbenzene

1-[(E)-but-2-en-2-yl]-2-propan-2-ylbenzene (PubChem CID 147553319) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 1-[(E)-but-2-en-2-yl]-2-propan-2-ylbenzene.

Molecular Properties

Compound Name1-[(E)-but-2-en-2-yl]-2-propan-2-ylbenzene
PubChem CID147553319
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name1-[(E)-but-2-en-2-yl]-2-propan-2-ylbenzene
SMILESC/C=C(\C)c1ccccc1C(C)C
InChIInChI=1S/C13H18/c1-5-11(4)13-9-7-6-8-12(13)10(2)3/h5-10H,1-4H3/b11-5+
InChIKeyFREVZFVSNUJFBT-VZUCSPMQSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(1-phenylprop-1-en-2-yl)-2-propan-2-ylbenzene
CID 54101312
ethane;1-[(2E)-4-methylpenta-2,4-dien-2-yl]-2-propan-2-ylbenzene
CID 142104911
1-[(E)-but-2-en-2-yl]-2-methylbenzene
CID 12835573
1,2-bis(2-propan-2-ylphenyl)ethane-1,2-dione
CID 67945637
2-[3-[(Z)-but-2-en-2-yl]-2-methylphenyl]propanoic acid
CID 177029135
1-(2-but-2-en-2-ylphenyl)ethylidenetungsten
CID 161267219
1,2-di(propan-2-yl)benzene;dihydrate
CID 70397314
4-[(E)-but-2-en-2-yl]-6-propan-2-ylbenzene-1,3-diol
CID 143589079
1,2-di(propan-2-yl)benzene;1-sulfanylethanol
CID 174932639
N-methyl-2-propan-2-ylbenzenecarbothioamide
CID 10965376
N'-hydroxy-2-propan-2-ylbenzenecarboximidamide
CID 83386252
N-hydroxy-2-propan-2-ylbenzamide
CID 147875920

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-en-2-yl]-2-propan-2-ylbenzene?
The IUPAC name of 1-[(E)-but-2-en-2-yl]-2-propan-2-ylbenzene (CID 147553319) is 1-[(E)-but-2-en-2-yl]-2-propan-2-ylbenzene.
What is the SMILES notation for 1-[(E)-but-2-en-2-yl]-2-propan-2-ylbenzene?
The canonical SMILES for 1-[(E)-but-2-en-2-yl]-2-propan-2-ylbenzene is C/C=C(\C)c1ccccc1C(C)C.
What is the InChIKey of 1-[(E)-but-2-en-2-yl]-2-propan-2-ylbenzene?
The InChIKey is FREVZFVSNUJFBT-VZUCSPMQSA-N. The full InChI is InChI=1S/C13H18/c1-5-11(4)13-9-7-6-8-12(13)10(2)3/h5-10H,1-4H3/b11-5+.
What are the key properties of 1-[(E)-but-2-en-2-yl]-2-propan-2-ylbenzene?
1-[(E)-but-2-en-2-yl]-2-propan-2-ylbenzene has a molecular weight of 174.29 g/mol, XLogP of 4.23, 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]-2-propan-2-ylbenzene is sourced from PubChem (CID 147553319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).