4-(3-phenylselanylpropyl)octa-1,7-dien-4-ol

C17H24OSe — CID 11427275

IUPAC4-(3-phenylselanylpropyl)octa-1,7-dien-4-ol
SMILESC=CCCC(O)(CC=C)CCC[Se]c1ccccc1
InChIInChI=1S/C17H24OSe/c1-3-5-13-17(18,12-4-2)14-9-15-19-16-10-7-6-8-11-16/h3-4,6-8,10-11,18H,1-2,5,9,12-15H2
InChIKeyRMUZVKZCYRMHQL-UHFFFAOYSA-N
MW323.34 g/mol
LogP3.49
Rot. Bonds10

About 4-(3-phenylselanylpropyl)octa-1,7-dien-4-ol

4-(3-phenylselanylpropyl)octa-1,7-dien-4-ol (PubChem CID 11427275) has the molecular formula C17H24OSe and a molecular weight of 323.34 g/mol. Its IUPAC name is 4-(3-phenylselanylpropyl)octa-1,7-dien-4-ol.

Molecular Properties

Compound Name4-(3-phenylselanylpropyl)octa-1,7-dien-4-ol
PubChem CID11427275
Molecular FormulaC17H24OSe
Molecular Weight323.34 g/mol
Exact Mass324.10
IUPAC Name4-(3-phenylselanylpropyl)octa-1,7-dien-4-ol
SMILESC=CCCC(O)(CC=C)CCC[Se]c1ccccc1
InChIInChI=1S/C17H24OSe/c1-3-5-13-17(18,12-4-2)14-9-15-19-16-10-7-6-8-11-16/h3-4,6-8,10-11,18H,1-2,5,9,12-15H2
InChIKeyRMUZVKZCYRMHQL-UHFFFAOYSA-N
XLogP3.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylselanylpropyl)octa-1,7-dien-4-ol?
The IUPAC name of 4-(3-phenylselanylpropyl)octa-1,7-dien-4-ol (CID 11427275) is 4-(3-phenylselanylpropyl)octa-1,7-dien-4-ol.
What is the SMILES notation for 4-(3-phenylselanylpropyl)octa-1,7-dien-4-ol?
The canonical SMILES for 4-(3-phenylselanylpropyl)octa-1,7-dien-4-ol is C=CCCC(O)(CC=C)CCC[Se]c1ccccc1.
What is the InChIKey of 4-(3-phenylselanylpropyl)octa-1,7-dien-4-ol?
The InChIKey is RMUZVKZCYRMHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24OSe/c1-3-5-13-17(18,12-4-2)14-9-15-19-16-10-7-6-8-11-16/h3-4,6-8,10-11,18H,1-2,5,9,12-15H2.
What are the key properties of 4-(3-phenylselanylpropyl)octa-1,7-dien-4-ol?
4-(3-phenylselanylpropyl)octa-1,7-dien-4-ol has a molecular weight of 323.34 g/mol, XLogP of 3.49, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylselanylpropyl)octa-1,7-dien-4-ol is sourced from PubChem (CID 11427275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).