[(E)-4,5-dimethylhex-3-enyl]benzene

C14H20 — CID 14959713

IUPAC[(E)-4,5-dimethylhex-3-enyl]benzene
SMILESC/C(=C\CCc1ccccc1)C(C)C
InChIInChI=1S/C14H20/c1-12(2)13(3)8-7-11-14-9-5-4-6-10-14/h4-6,8-10,12H,7,11H2,1-3H3/b13-8+
InChIKeyQWJAPLNJYKAPNN-MDWZMJQESA-N
MW188.31 g/mol
LogP4.22
Rot. Bonds4

About [(E)-4,5-dimethylhex-3-enyl]benzene

[(E)-4,5-dimethylhex-3-enyl]benzene (PubChem CID 14959713) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is [(E)-4,5-dimethylhex-3-enyl]benzene.

Molecular Properties

Compound Name[(E)-4,5-dimethylhex-3-enyl]benzene
PubChem CID14959713
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Name[(E)-4,5-dimethylhex-3-enyl]benzene
SMILESC/C(=C\CCc1ccccc1)C(C)C
InChIInChI=1S/C14H20/c1-12(2)13(3)8-7-11-14-9-5-4-6-10-14/h4-6,8-10,12H,7,11H2,1-3H3/b13-8+
InChIKeyQWJAPLNJYKAPNN-MDWZMJQESA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.22
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)-4,5-dimethylhex-3-enyl]benzene?
The IUPAC name of [(E)-4,5-dimethylhex-3-enyl]benzene (CID 14959713) is [(E)-4,5-dimethylhex-3-enyl]benzene.
What is the SMILES notation for [(E)-4,5-dimethylhex-3-enyl]benzene?
The canonical SMILES for [(E)-4,5-dimethylhex-3-enyl]benzene is C/C(=C\CCc1ccccc1)C(C)C.
What is the InChIKey of [(E)-4,5-dimethylhex-3-enyl]benzene?
The InChIKey is QWJAPLNJYKAPNN-MDWZMJQESA-N. The full InChI is InChI=1S/C14H20/c1-12(2)13(3)8-7-11-14-9-5-4-6-10-14/h4-6,8-10,12H,7,11H2,1-3H3/b13-8+.
What are the key properties of [(E)-4,5-dimethylhex-3-enyl]benzene?
[(E)-4,5-dimethylhex-3-enyl]benzene has a molecular weight of 188.31 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4,5-dimethylhex-3-enyl]benzene is sourced from PubChem (CID 14959713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).