1-phenylselanyldec-9-en-2-ol

C16H24OSe — CID 11544113

IUPAC1-phenylselanyldec-9-en-2-ol
SMILESC=CCCCCCCC(O)C[Se]c1ccccc1
InChIInChI=1S/C16H24OSe/c1-2-3-4-5-6-8-11-15(17)14-18-16-12-9-7-10-13-16/h2,7,9-10,12-13,15,17H,1,3-6,8,11,14H2
InChIKeyVJOOHVLIPBNJCL-UHFFFAOYSA-N
MW311.33 g/mol
LogP3.32
Rot. Bonds10

About 1-phenylselanyldec-9-en-2-ol

1-phenylselanyldec-9-en-2-ol (PubChem CID 11544113) has the molecular formula C16H24OSe and a molecular weight of 311.33 g/mol. Its IUPAC name is 1-phenylselanyldec-9-en-2-ol.

Molecular Properties

Compound Name1-phenylselanyldec-9-en-2-ol
PubChem CID11544113
Molecular FormulaC16H24OSe
Molecular Weight311.33 g/mol
Exact Mass312.10
IUPAC Name1-phenylselanyldec-9-en-2-ol
SMILESC=CCCCCCCC(O)C[Se]c1ccccc1
InChIInChI=1S/C16H24OSe/c1-2-3-4-5-6-8-11-15(17)14-18-16-12-9-7-10-13-16/h2,7,9-10,12-13,15,17H,1,3-6,8,11,14H2
InChIKeyVJOOHVLIPBNJCL-UHFFFAOYSA-N
XLogP3.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 53.32
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 1-phenylselanyldec-9-en-2-ol?
The IUPAC name of 1-phenylselanyldec-9-en-2-ol (CID 11544113) is 1-phenylselanyldec-9-en-2-ol.
What is the SMILES notation for 1-phenylselanyldec-9-en-2-ol?
The canonical SMILES for 1-phenylselanyldec-9-en-2-ol is C=CCCCCCCC(O)C[Se]c1ccccc1.
What is the InChIKey of 1-phenylselanyldec-9-en-2-ol?
The InChIKey is VJOOHVLIPBNJCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24OSe/c1-2-3-4-5-6-8-11-15(17)14-18-16-12-9-7-10-13-16/h2,7,9-10,12-13,15,17H,1,3-6,8,11,14H2.
What are the key properties of 1-phenylselanyldec-9-en-2-ol?
1-phenylselanyldec-9-en-2-ol has a molecular weight of 311.33 g/mol, XLogP of 3.32, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylselanyldec-9-en-2-ol is sourced from PubChem (CID 11544113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).