[(E)-2-benzyl-5-cyclopropylhex-4-enyl]benzene

C22H26 — CID 177423287

IUPAC[(E)-2-benzyl-5-cyclopropylhex-4-enyl]benzene
SMILESC/C(=C\CC(Cc1ccccc1)Cc1ccccc1)C1CC1
InChIInChI=1S/C22H26/c1-18(22-14-15-22)12-13-21(16-19-8-4-2-5-9-19)17-20-10-6-3-7-11-20/h2-12,21-22H,13-17H2,1H3/b18-12+
InChIKeyOEFVBIWBAUEMNU-LDADJPATSA-N
MW290.45 g/mol
LogP5.83
Rot. Bonds7

About [(E)-2-benzyl-5-cyclopropylhex-4-enyl]benzene

[(E)-2-benzyl-5-cyclopropylhex-4-enyl]benzene (PubChem CID 177423287) has the molecular formula C22H26 and a molecular weight of 290.45 g/mol. Its IUPAC name is [(E)-2-benzyl-5-cyclopropylhex-4-enyl]benzene.

Molecular Properties

Compound Name[(E)-2-benzyl-5-cyclopropylhex-4-enyl]benzene
PubChem CID177423287
Molecular FormulaC22H26
Molecular Weight290.45 g/mol
Exact Mass290.20
IUPAC Name[(E)-2-benzyl-5-cyclopropylhex-4-enyl]benzene
SMILESC/C(=C\CC(Cc1ccccc1)Cc1ccccc1)C1CC1
InChIInChI=1S/C22H26/c1-18(22-14-15-22)12-13-21(16-19-8-4-2-5-9-19)17-20-10-6-3-7-11-20/h2-12,21-22H,13-17H2,1H3/b18-12+
InChIKeyOEFVBIWBAUEMNU-LDADJPATSA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[(E)-4-cyclohexylpent-3-enyl]benzene
CID 14982517
3-benzyl-1-cyclopropylpentan-1-one
CID 142258959
2-benzyl-3-cyclohexylpropan-1-ol
CID 66060213
2-amino-1-cyclooctyl-3-phenylpropan-1-one
CID 139435291
3-benzyl-5-methylhexanal
CID 91400659
(2S)-2-benzyl-5-methylhex-4-enal
CID 11424225
1-(2-benzyl-3-phenylpropyl)pyrrolidine-3-carboxylic acid
CID 122036313
2-ethylbutylbenzene;methane
CID 158777195
formic acid;2-methylpropylbenzene
CID 162001374
(2S)-2-(1-cyclobutylpropan-2-ylamino)-3-phenylpropan-1-ol
CID 102613762
cis-(1R,3S)-3-[[(2S)-2-amino-3-phenylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 106322850
N-(1-oxo-3-phenylpropan-2-yl)cyclopropanecarboxamide
CID 142081270

Frequently Asked Questions

What is the IUPAC name of [(E)-2-benzyl-5-cyclopropylhex-4-enyl]benzene?
The IUPAC name of [(E)-2-benzyl-5-cyclopropylhex-4-enyl]benzene (CID 177423287) is [(E)-2-benzyl-5-cyclopropylhex-4-enyl]benzene.
What is the SMILES notation for [(E)-2-benzyl-5-cyclopropylhex-4-enyl]benzene?
The canonical SMILES for [(E)-2-benzyl-5-cyclopropylhex-4-enyl]benzene is C/C(=C\CC(Cc1ccccc1)Cc1ccccc1)C1CC1.
What is the InChIKey of [(E)-2-benzyl-5-cyclopropylhex-4-enyl]benzene?
The InChIKey is OEFVBIWBAUEMNU-LDADJPATSA-N. The full InChI is InChI=1S/C22H26/c1-18(22-14-15-22)12-13-21(16-19-8-4-2-5-9-19)17-20-10-6-3-7-11-20/h2-12,21-22H,13-17H2,1H3/b18-12+.
What are the key properties of [(E)-2-benzyl-5-cyclopropylhex-4-enyl]benzene?
[(E)-2-benzyl-5-cyclopropylhex-4-enyl]benzene has a molecular weight of 290.45 g/mol, XLogP of 5.83, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-benzyl-5-cyclopropylhex-4-enyl]benzene is sourced from PubChem (CID 177423287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).