[(E,4S)-4-methylnon-2-en-4-yl]benzene

C16H24 — CID 101254578

IUPAC[(E,4S)-4-methylnon-2-en-4-yl]benzene
SMILESC/C=C/[C@](C)(CCCCC)c1ccccc1
InChIInChI=1S/C16H24/c1-4-6-10-14-16(3,13-5-2)15-11-8-7-9-12-15/h5,7-9,11-13H,4,6,10,14H2,1-3H3/b13-5+/t16-/m1/s1
InChIKeyDSNIGGJVQYZQLU-ZUFYJRLNSA-N
MW216.37 g/mol
LogP5.10
Rot. Bonds6

About [(E,4S)-4-methylnon-2-en-4-yl]benzene

[(E,4S)-4-methylnon-2-en-4-yl]benzene (PubChem CID 101254578) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is [(E,4S)-4-methylnon-2-en-4-yl]benzene.

Molecular Properties

Compound Name[(E,4S)-4-methylnon-2-en-4-yl]benzene
PubChem CID101254578
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name[(E,4S)-4-methylnon-2-en-4-yl]benzene
SMILESC/C=C/[C@](C)(CCCCC)c1ccccc1
InChIInChI=1S/C16H24/c1-4-6-10-14-16(3,13-5-2)15-11-8-7-9-12-15/h5,7-9,11-13H,4,6,10,14H2,1-3H3/b13-5+/t16-/m1/s1
InChIKeyDSNIGGJVQYZQLU-ZUFYJRLNSA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.37
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [(E,4S)-4-methylnon-2-en-4-yl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(E,4S)-4-methylnon-2-en-4-yl]benzene?
The IUPAC name of [(E,4S)-4-methylnon-2-en-4-yl]benzene (CID 101254578) is [(E,4S)-4-methylnon-2-en-4-yl]benzene.
What is the SMILES notation for [(E,4S)-4-methylnon-2-en-4-yl]benzene?
The canonical SMILES for [(E,4S)-4-methylnon-2-en-4-yl]benzene is C/C=C/[C@](C)(CCCCC)c1ccccc1.
What is the InChIKey of [(E,4S)-4-methylnon-2-en-4-yl]benzene?
The InChIKey is DSNIGGJVQYZQLU-ZUFYJRLNSA-N. The full InChI is InChI=1S/C16H24/c1-4-6-10-14-16(3,13-5-2)15-11-8-7-9-12-15/h5,7-9,11-13H,4,6,10,14H2,1-3H3/b13-5+/t16-/m1/s1.
What are the key properties of [(E,4S)-4-methylnon-2-en-4-yl]benzene?
[(E,4S)-4-methylnon-2-en-4-yl]benzene has a molecular weight of 216.37 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,4S)-4-methylnon-2-en-4-yl]benzene is sourced from PubChem (CID 101254578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).