prop-2-enyl 2-phenylselanylhexanoate

C15H20O2Se — CID 101060195

IUPACprop-2-enyl 2-phenylselanylhexanoate
SMILESC=CCOC(=O)C(CCCC)[Se]c1ccccc1
InChIInChI=1S/C15H20O2Se/c1-3-5-11-14(15(16)17-12-4-2)18-13-9-7-6-8-10-13/h4,6-10,14H,2-3,5,11-12H2,1H3
InChIKeyQBCFURMWNLMZSC-UHFFFAOYSA-N
MW311.28 g/mol
LogP2.72
Rot. Bonds8

About prop-2-enyl 2-phenylselanylhexanoate

prop-2-enyl 2-phenylselanylhexanoate (PubChem CID 101060195) has the molecular formula C15H20O2Se and a molecular weight of 311.28 g/mol. Its IUPAC name is prop-2-enyl 2-phenylselanylhexanoate.

Molecular Properties

Compound Nameprop-2-enyl 2-phenylselanylhexanoate
PubChem CID101060195
Molecular FormulaC15H20O2Se
Molecular Weight311.28 g/mol
Exact Mass312.06
IUPAC Nameprop-2-enyl 2-phenylselanylhexanoate
SMILESC=CCOC(=O)C(CCCC)[Se]c1ccccc1
InChIInChI=1S/C15H20O2Se/c1-3-5-11-14(15(16)17-12-4-2)18-13-9-7-6-8-10-13/h4,6-10,14H,2-3,5,11-12H2,1H3
InChIKeyQBCFURMWNLMZSC-UHFFFAOYSA-N
XLogP2.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.28
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze prop-2-enyl 2-phenylselanylhexanoate with MolForge

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

Launch Full Analysis

Related Compounds

butyl 3-(1,3-dithian-2-yl)-2-phenylselanylpropanoate
CID 15273696
N-(2-prop-2-enoxyoctan-4-yloxy)benzamide
CID 174541568
prop-2-enyl 2-(pentanoylamino)-3-phenylpropanoate
CID 67861490
octan-2-yl 2-phenylselanylpropanoate
CID 615469
[(4S,5R)-5-phenylselanyloctan-4-yl] acetate
CID 102485999
2-butyl-1-phenyl-3-(4-prop-2-enoxyphenyl)propane-1,3-dione
CID 142717062
bis(prop-2-enyl) 2-heptylpropanedioate
CID 21304231
1-O-amino 4-O-prop-2-enyl 2,3-dipentylbutanedioate
CID 87825928
prop-2-enyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoate
CID 138502561
prop-2-enyl 2-pentylsulfanylbenzoate
CID 70399381
prop-2-enyl 4-(bromomethyl)-2-butylhexanoate
CID 174837315
prop-2-enyl 3-(butylamino)-4-phenylbutanoate
CID 23244441

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-phenylselanylhexanoate?
The IUPAC name of prop-2-enyl 2-phenylselanylhexanoate (CID 101060195) is prop-2-enyl 2-phenylselanylhexanoate.
What is the SMILES notation for prop-2-enyl 2-phenylselanylhexanoate?
The canonical SMILES for prop-2-enyl 2-phenylselanylhexanoate is C=CCOC(=O)C(CCCC)[Se]c1ccccc1.
What is the InChIKey of prop-2-enyl 2-phenylselanylhexanoate?
The InChIKey is QBCFURMWNLMZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2Se/c1-3-5-11-14(15(16)17-12-4-2)18-13-9-7-6-8-10-13/h4,6-10,14H,2-3,5,11-12H2,1H3.
What are the key properties of prop-2-enyl 2-phenylselanylhexanoate?
prop-2-enyl 2-phenylselanylhexanoate has a molecular weight of 311.28 g/mol, XLogP of 2.72, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-phenylselanylhexanoate is sourced from PubChem (CID 101060195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).