7-phenylselanylheptan-1-ol

C13H20OSe — CID 15062204

IUPAC7-phenylselanylheptan-1-ol
SMILESOCCCCCCC[Se]c1ccccc1
InChIInChI=1S/C13H20OSe/c14-11-7-2-1-3-8-12-15-13-9-5-4-6-10-13/h4-6,9-10,14H,1-3,7-8,11-12H2
InChIKeyHHQZNXQBFWNNQW-UHFFFAOYSA-N
MW271.26 g/mol
LogP2.38
Rot. Bonds8

About 7-phenylselanylheptan-1-ol

7-phenylselanylheptan-1-ol (PubChem CID 15062204) has the molecular formula C13H20OSe and a molecular weight of 271.26 g/mol. Its IUPAC name is 7-phenylselanylheptan-1-ol.

Molecular Properties

Compound Name7-phenylselanylheptan-1-ol
PubChem CID15062204
Molecular FormulaC13H20OSe
Molecular Weight271.26 g/mol
Exact Mass272.07
IUPAC Name7-phenylselanylheptan-1-ol
SMILESOCCCCCCC[Se]c1ccccc1
InChIInChI=1S/C13H20OSe/c14-11-7-2-1-3-8-12-15-13-9-5-4-6-10-13/h4-6,9-10,14H,1-3,7-8,11-12H2
InChIKeyHHQZNXQBFWNNQW-UHFFFAOYSA-N
XLogP2.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.26
LogP ≤ 52.38
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'}

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Frequently Asked Questions

What is the IUPAC name of 7-phenylselanylheptan-1-ol?
The IUPAC name of 7-phenylselanylheptan-1-ol (CID 15062204) is 7-phenylselanylheptan-1-ol.
What is the SMILES notation for 7-phenylselanylheptan-1-ol?
The canonical SMILES for 7-phenylselanylheptan-1-ol is OCCCCCCC[Se]c1ccccc1.
What is the InChIKey of 7-phenylselanylheptan-1-ol?
The InChIKey is HHQZNXQBFWNNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20OSe/c14-11-7-2-1-3-8-12-15-13-9-5-4-6-10-13/h4-6,9-10,14H,1-3,7-8,11-12H2.
What are the key properties of 7-phenylselanylheptan-1-ol?
7-phenylselanylheptan-1-ol has a molecular weight of 271.26 g/mol, XLogP of 2.38, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenylselanylheptan-1-ol is sourced from PubChem (CID 15062204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).