4-methyl-4-phenylselanylpentan-2-ol

C12H18OSe — CID 11425381

IUPAC4-methyl-4-phenylselanylpentan-2-ol
SMILESCC(O)CC(C)(C)[Se]c1ccccc1
InChIInChI=1S/C12H18OSe/c1-10(13)9-12(2,3)14-11-7-5-4-6-8-11/h4-8,10,13H,9H2,1-3H3
InChIKeyXULFMCSRVHWJEX-UHFFFAOYSA-N
MW257.24 g/mol
LogP1.99
Rot. Bonds4

About 4-methyl-4-phenylselanylpentan-2-ol

4-methyl-4-phenylselanylpentan-2-ol (PubChem CID 11425381) has the molecular formula C12H18OSe and a molecular weight of 257.24 g/mol. Its IUPAC name is 4-methyl-4-phenylselanylpentan-2-ol.

Molecular Properties

Compound Name4-methyl-4-phenylselanylpentan-2-ol
PubChem CID11425381
Molecular FormulaC12H18OSe
Molecular Weight257.24 g/mol
Exact Mass258.05
IUPAC Name4-methyl-4-phenylselanylpentan-2-ol
SMILESCC(O)CC(C)(C)[Se]c1ccccc1
InChIInChI=1S/C12H18OSe/c1-10(13)9-12(2,3)14-11-7-5-4-6-8-11/h4-8,10,13H,9H2,1-3H3
InChIKeyXULFMCSRVHWJEX-UHFFFAOYSA-N
XLogP1.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-phenylselanylpentan-2-ol?
The IUPAC name of 4-methyl-4-phenylselanylpentan-2-ol (CID 11425381) is 4-methyl-4-phenylselanylpentan-2-ol.
What is the SMILES notation for 4-methyl-4-phenylselanylpentan-2-ol?
The canonical SMILES for 4-methyl-4-phenylselanylpentan-2-ol is CC(O)CC(C)(C)[Se]c1ccccc1.
What is the InChIKey of 4-methyl-4-phenylselanylpentan-2-ol?
The InChIKey is XULFMCSRVHWJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18OSe/c1-10(13)9-12(2,3)14-11-7-5-4-6-8-11/h4-8,10,13H,9H2,1-3H3.
What are the key properties of 4-methyl-4-phenylselanylpentan-2-ol?
4-methyl-4-phenylselanylpentan-2-ol has a molecular weight of 257.24 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-phenylselanylpentan-2-ol is sourced from PubChem (CID 11425381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).