[(1R,2R,4R,5R)-2,5-dimethyl-1-phenyl-1-selanylidene-1λ5-phosphinan-4-yl] acetate

C15H21O2PSe — CID 25240773

IUPAC[(1R,2R,4R,5R)-2,5-dimethyl-1-phenyl-1-selanylidene-1λ5-phosphinan-4-yl] acetate
SMILESCC(=O)O[C@@H]1C[C@@H](C)[P@@](=[Se])(c2ccccc2)C[C@@H]1C
InChIInChI=1S/C15H21O2PSe/c1-11-10-18(19,14-7-5-4-6-8-14)12(2)9-15(11)17-13(3)16/h4-8,11-12,15H,9-10H2,1-3H3/t11-,12+,15+,18+/m0/s1
InChIKeyXORKLSQOHMCHTN-NYPXFFEGSA-N
MW343.27 g/mol
LogP2.77
Rot. Bonds2

About [(1R,2R,4R,5R)-2,5-dimethyl-1-phenyl-1-selanylidene-1λ5-phosphinan-4-yl] acetate

[(1R,2R,4R,5R)-2,5-dimethyl-1-phenyl-1-selanylidene-1λ5-phosphinan-4-yl] acetate (PubChem CID 25240773) has the molecular formula C15H21O2PSe and a molecular weight of 343.27 g/mol. Its IUPAC name is [(1R,2R,4R,5R)-2,5-dimethyl-1-phenyl-1-selanylidene-1λ5-phosphinan-4-yl] acetate.

Molecular Properties

Compound Name[(1R,2R,4R,5R)-2,5-dimethyl-1-phenyl-1-selanylidene-1λ5-phosphinan-4-yl] acetate
PubChem CID25240773
Molecular FormulaC15H21O2PSe
Molecular Weight343.27 g/mol
Exact Mass344.04
IUPAC Name[(1R,2R,4R,5R)-2,5-dimethyl-1-phenyl-1-selanylidene-1λ5-phosphinan-4-yl] acetate
SMILESCC(=O)O[C@@H]1C[C@@H](C)[P@@](=[Se])(c2ccccc2)C[C@@H]1C
InChIInChI=1S/C15H21O2PSe/c1-11-10-18(19,14-7-5-4-6-8-14)12(2)9-15(11)17-13(3)16/h4-8,11-12,15H,9-10H2,1-3H3/t11-,12+,15+,18+/m0/s1
InChIKeyXORKLSQOHMCHTN-NYPXFFEGSA-N
XLogP2.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(1R,2R,4R,5R)-2,5-dimethyl-1-phenyl-1-selanylidene-1λ5-phosphinan-4-yl] acetate 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

[(1R,2R,4S,5R)-2,5-dimethyl-1-phenyl-1-sulfanylidene-1λ5-phosphinan-4-yl] acetate
CID 23266607
[4-hydroxy-5-(hydroxymethyl)-1-oxo-1-phenyl-1λ5-phospholan-3-yl] acetate
CID 102145354
[(2S,3S,4S,6S)-3-acetyloxy-2-methyl-6-phenyloxan-4-yl] acetate
CID 10039969
[(2R,3R,4S,6S)-3-methyl-2,6-diphenylselenan-4-yl] acetate
CID 12618580
[(1R,2S,4R,5S)-2,4,5-triacetyloxycyclohexyl] acetate
CID 12026265
[(1S,2S)-2-(N-methylanilino)cyclohexyl] acetate
CID 100993508
[(1S)-2-phenylcyclohexyl] acetate
CID 130428408
(3,8-dioxo-1,2,2a,8a-tetrahydrocyclobuta[b]naphthalen-2-yl) acetate
CID 15140830
[(3S,4R,5R,6S)-4,5-diacetyloxy-6-methyl-1-[(1R)-1-phenylethyl]piperidin-3-yl] acetate
CID 11280349
[(2R,3S,4S,6S)-3-acetyloxy-2-benzhydryl-6-methyloxan-4-yl] acetate
CID 10948955
[(1S,3S)-3-methyl-2,3-dihydro-1H-inden-1-yl] acetate
CID 11961495
[(2R,3R)-3-sulfanyl-1,2,3,4-tetrahydronaphthalen-2-yl] acetate
CID 170177717

Frequently Asked Questions

What is the IUPAC name of [(1R,2R,4R,5R)-2,5-dimethyl-1-phenyl-1-selanylidene-1λ5-phosphinan-4-yl] acetate?
The IUPAC name of [(1R,2R,4R,5R)-2,5-dimethyl-1-phenyl-1-selanylidene-1λ5-phosphinan-4-yl] acetate (CID 25240773) is [(1R,2R,4R,5R)-2,5-dimethyl-1-phenyl-1-selanylidene-1λ5-phosphinan-4-yl] acetate.
What is the SMILES notation for [(1R,2R,4R,5R)-2,5-dimethyl-1-phenyl-1-selanylidene-1λ5-phosphinan-4-yl] acetate?
The canonical SMILES for [(1R,2R,4R,5R)-2,5-dimethyl-1-phenyl-1-selanylidene-1λ5-phosphinan-4-yl] acetate is CC(=O)O[C@@H]1C[C@@H](C)[P@@](=[Se])(c2ccccc2)C[C@@H]1C.
What is the InChIKey of [(1R,2R,4R,5R)-2,5-dimethyl-1-phenyl-1-selanylidene-1λ5-phosphinan-4-yl] acetate?
The InChIKey is XORKLSQOHMCHTN-NYPXFFEGSA-N. The full InChI is InChI=1S/C15H21O2PSe/c1-11-10-18(19,14-7-5-4-6-8-14)12(2)9-15(11)17-13(3)16/h4-8,11-12,15H,9-10H2,1-3H3/t11-,12+,15+,18+/m0/s1.
What are the key properties of [(1R,2R,4R,5R)-2,5-dimethyl-1-phenyl-1-selanylidene-1λ5-phosphinan-4-yl] acetate?
[(1R,2R,4R,5R)-2,5-dimethyl-1-phenyl-1-selanylidene-1λ5-phosphinan-4-yl] acetate has a molecular weight of 343.27 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,4R,5R)-2,5-dimethyl-1-phenyl-1-selanylidene-1λ5-phosphinan-4-yl] acetate is sourced from PubChem (CID 25240773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).