[(E)-4-phenyldec-3-enoxy]methylbenzene

C23H30O — CID 11141829

IUPAC[(E)-4-phenyldec-3-enoxy]methylbenzene
SMILESCCCCCC/C(=C\CCOCc1ccccc1)c1ccccc1
InChIInChI=1S/C23H30O/c1-2-3-4-9-15-23(22-16-10-6-11-17-22)18-12-19-24-20-21-13-7-5-8-14-21/h5-8,10-11,13-14,16-18H,2-4,9,12,15,19-20H2,1H3/b23-18+
InChIKeyBDNJRMNMIDUYEY-PTGBLXJZSA-N
MW322.49 g/mol
LogP6.65
Rot. Bonds11

About [(E)-4-phenyldec-3-enoxy]methylbenzene

[(E)-4-phenyldec-3-enoxy]methylbenzene (PubChem CID 11141829) has the molecular formula C23H30O and a molecular weight of 322.49 g/mol. Its IUPAC name is [(E)-4-phenyldec-3-enoxy]methylbenzene.

Molecular Properties

Compound Name[(E)-4-phenyldec-3-enoxy]methylbenzene
PubChem CID11141829
Molecular FormulaC23H30O
Molecular Weight322.49 g/mol
Exact Mass322.23
IUPAC Name[(E)-4-phenyldec-3-enoxy]methylbenzene
SMILESCCCCCC/C(=C\CCOCc1ccccc1)c1ccccc1
InChIInChI=1S/C23H30O/c1-2-3-4-9-15-23(22-16-10-6-11-17-22)18-12-19-24-20-21-13-7-5-8-14-21/h5-8,10-11,13-14,16-18H,2-4,9,12,15,19-20H2,1H3/b23-18+
InChIKeyBDNJRMNMIDUYEY-PTGBLXJZSA-N
XLogP6.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.49
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-4-phenyldec-3-enoxy]methylbenzene?
The IUPAC name of [(E)-4-phenyldec-3-enoxy]methylbenzene (CID 11141829) is [(E)-4-phenyldec-3-enoxy]methylbenzene.
What is the SMILES notation for [(E)-4-phenyldec-3-enoxy]methylbenzene?
The canonical SMILES for [(E)-4-phenyldec-3-enoxy]methylbenzene is CCCCCC/C(=C\CCOCc1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-4-phenyldec-3-enoxy]methylbenzene?
The InChIKey is BDNJRMNMIDUYEY-PTGBLXJZSA-N. The full InChI is InChI=1S/C23H30O/c1-2-3-4-9-15-23(22-16-10-6-11-17-22)18-12-19-24-20-21-13-7-5-8-14-21/h5-8,10-11,13-14,16-18H,2-4,9,12,15,19-20H2,1H3/b23-18+.
What are the key properties of [(E)-4-phenyldec-3-enoxy]methylbenzene?
[(E)-4-phenyldec-3-enoxy]methylbenzene has a molecular weight of 322.49 g/mol, XLogP of 6.65, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-phenyldec-3-enoxy]methylbenzene is sourced from PubChem (CID 11141829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).