(E)-5-phenylselanylhex-4-en-3-ol

C12H16OSe — CID 102155191

IUPAC(E)-5-phenylselanylhex-4-en-3-ol
SMILESCCC(O)/C=C(\C)[Se]c1ccccc1
InChIInChI=1S/C12H16OSe/c1-3-11(13)9-10(2)14-12-7-5-4-6-8-12/h4-9,11,13H,3H2,1-2H3/b10-9+
InChIKeyTYFQMOYDQUIFGO-MDZDMXLPSA-N
MW255.22 g/mol
LogP1.69
Rot. Bonds4

About (E)-5-phenylselanylhex-4-en-3-ol

(E)-5-phenylselanylhex-4-en-3-ol (PubChem CID 102155191) has the molecular formula C12H16OSe and a molecular weight of 255.22 g/mol. Its IUPAC name is (E)-5-phenylselanylhex-4-en-3-ol.

Molecular Properties

Compound Name(E)-5-phenylselanylhex-4-en-3-ol
PubChem CID102155191
Molecular FormulaC12H16OSe
Molecular Weight255.22 g/mol
Exact Mass256.04
IUPAC Name(E)-5-phenylselanylhex-4-en-3-ol
SMILESCCC(O)/C=C(\C)[Se]c1ccccc1
InChIInChI=1S/C12H16OSe/c1-3-11(13)9-10(2)14-12-7-5-4-6-8-12/h4-9,11,13H,3H2,1-2H3/b10-9+
InChIKeyTYFQMOYDQUIFGO-MDZDMXLPSA-N
XLogP1.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-5-phenylselanylhex-4-en-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-5-phenylselanylhex-4-en-3-ol?
The IUPAC name of (E)-5-phenylselanylhex-4-en-3-ol (CID 102155191) is (E)-5-phenylselanylhex-4-en-3-ol.
What is the SMILES notation for (E)-5-phenylselanylhex-4-en-3-ol?
The canonical SMILES for (E)-5-phenylselanylhex-4-en-3-ol is CCC(O)/C=C(\C)[Se]c1ccccc1.
What is the InChIKey of (E)-5-phenylselanylhex-4-en-3-ol?
The InChIKey is TYFQMOYDQUIFGO-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H16OSe/c1-3-11(13)9-10(2)14-12-7-5-4-6-8-12/h4-9,11,13H,3H2,1-2H3/b10-9+.
What are the key properties of (E)-5-phenylselanylhex-4-en-3-ol?
(E)-5-phenylselanylhex-4-en-3-ol has a molecular weight of 255.22 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-phenylselanylhex-4-en-3-ol is sourced from PubChem (CID 102155191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).