[(E,2S)-4-cyclohexyl-2-methylbut-3-enyl]benzene

C17H24 — CID 11138907

IUPAC[(E,2S)-4-cyclohexyl-2-methylbut-3-enyl]benzene
SMILESC[C@H](/C=C/C1CCCCC1)Cc1ccccc1
InChIInChI=1S/C17H24/c1-15(14-17-10-6-3-7-11-17)12-13-16-8-4-2-5-9-16/h3,6-7,10-13,15-16H,2,4-5,8-9,14H2,1H3/b13-12+/t15-/m1/s1
InChIKeyYLZNZBCSYNWOLU-RDRICISKSA-N
MW228.38 g/mol
LogP5.00
Rot. Bonds4

About [(E,2S)-4-cyclohexyl-2-methylbut-3-enyl]benzene

[(E,2S)-4-cyclohexyl-2-methylbut-3-enyl]benzene (PubChem CID 11138907) has the molecular formula C17H24 and a molecular weight of 228.38 g/mol. Its IUPAC name is [(E,2S)-4-cyclohexyl-2-methylbut-3-enyl]benzene.

Molecular Properties

Compound Name[(E,2S)-4-cyclohexyl-2-methylbut-3-enyl]benzene
PubChem CID11138907
Molecular FormulaC17H24
Molecular Weight228.38 g/mol
Exact Mass228.19
IUPAC Name[(E,2S)-4-cyclohexyl-2-methylbut-3-enyl]benzene
SMILESC[C@H](/C=C/C1CCCCC1)Cc1ccccc1
InChIInChI=1S/C17H24/c1-15(14-17-10-6-3-7-11-17)12-13-16-8-4-2-5-9-16/h3,6-7,10-13,15-16H,2,4-5,8-9,14H2,1H3/b13-12+/t15-/m1/s1
InChIKeyYLZNZBCSYNWOLU-RDRICISKSA-N
XLogP5.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.38
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E,2S)-4-cyclohexyl-2-methylbut-3-enyl]benzene?
The IUPAC name of [(E,2S)-4-cyclohexyl-2-methylbut-3-enyl]benzene (CID 11138907) is [(E,2S)-4-cyclohexyl-2-methylbut-3-enyl]benzene.
What is the SMILES notation for [(E,2S)-4-cyclohexyl-2-methylbut-3-enyl]benzene?
The canonical SMILES for [(E,2S)-4-cyclohexyl-2-methylbut-3-enyl]benzene is C[C@H](/C=C/C1CCCCC1)Cc1ccccc1.
What is the InChIKey of [(E,2S)-4-cyclohexyl-2-methylbut-3-enyl]benzene?
The InChIKey is YLZNZBCSYNWOLU-RDRICISKSA-N. The full InChI is InChI=1S/C17H24/c1-15(14-17-10-6-3-7-11-17)12-13-16-8-4-2-5-9-16/h3,6-7,10-13,15-16H,2,4-5,8-9,14H2,1H3/b13-12+/t15-/m1/s1.
What are the key properties of [(E,2S)-4-cyclohexyl-2-methylbut-3-enyl]benzene?
[(E,2S)-4-cyclohexyl-2-methylbut-3-enyl]benzene has a molecular weight of 228.38 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,2S)-4-cyclohexyl-2-methylbut-3-enyl]benzene is sourced from PubChem (CID 11138907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).