[(E)-3-methyloct-2-enyl]benzene

C15H22 — CID 12622229

IUPAC[(E)-3-methyloct-2-enyl]benzene
SMILESCCCCC/C(C)=C/Cc1ccccc1
InChIInChI=1S/C15H22/c1-3-4-6-9-14(2)12-13-15-10-7-5-8-11-15/h5,7-8,10-12H,3-4,6,9,13H2,1-2H3/b14-12+
InChIKeyUPXGFYZSQJFQIC-WYMLVPIESA-N
MW202.34 g/mol
LogP4.76
Rot. Bonds6

About [(E)-3-methyloct-2-enyl]benzene

[(E)-3-methyloct-2-enyl]benzene (PubChem CID 12622229) has the molecular formula C15H22 and a molecular weight of 202.34 g/mol. Its IUPAC name is [(E)-3-methyloct-2-enyl]benzene.

Molecular Properties

Compound Name[(E)-3-methyloct-2-enyl]benzene
PubChem CID12622229
Molecular FormulaC15H22
Molecular Weight202.34 g/mol
Exact Mass202.17
IUPAC Name[(E)-3-methyloct-2-enyl]benzene
SMILESCCCCC/C(C)=C/Cc1ccccc1
InChIInChI=1S/C15H22/c1-3-4-6-9-14(2)12-13-15-10-7-5-8-11-15/h5,7-8,10-12H,3-4,6,9,13H2,1-2H3/b14-12+
InChIKeyUPXGFYZSQJFQIC-WYMLVPIESA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 54.76
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'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-methyloct-2-enyl]benzene?
The IUPAC name of [(E)-3-methyloct-2-enyl]benzene (CID 12622229) is [(E)-3-methyloct-2-enyl]benzene.
What is the SMILES notation for [(E)-3-methyloct-2-enyl]benzene?
The canonical SMILES for [(E)-3-methyloct-2-enyl]benzene is CCCCC/C(C)=C/Cc1ccccc1.
What is the InChIKey of [(E)-3-methyloct-2-enyl]benzene?
The InChIKey is UPXGFYZSQJFQIC-WYMLVPIESA-N. The full InChI is InChI=1S/C15H22/c1-3-4-6-9-14(2)12-13-15-10-7-5-8-11-15/h5,7-8,10-12H,3-4,6,9,13H2,1-2H3/b14-12+.
What are the key properties of [(E)-3-methyloct-2-enyl]benzene?
[(E)-3-methyloct-2-enyl]benzene has a molecular weight of 202.34 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-methyloct-2-enyl]benzene is sourced from PubChem (CID 12622229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).