[(2R,3R,4R)-2-methoxy-4-(2-methoxyethoxymethoxy)pentan-3-yl]selanylbenzene

C16H26O4Se — CID 15252820

IUPAC[(2R,3R,4R)-2-methoxy-4-(2-methoxyethoxymethoxy)pentan-3-yl]selanylbenzene
SMILESCOCCOCO[C@H](C)[C@H]([Se]c1ccccc1)[C@@H](C)OC
InChIInChI=1S/C16H26O4Se/c1-13(18-4)16(21-15-8-6-5-7-9-15)14(2)20-12-19-11-10-17-3/h5-9,13-14,16H,10-12H2,1-4H3/t13-,14-,16-/m1/s1
InChIKeyYIRZBEPZUNKZQT-IIAWOOMASA-N
MW361.34 g/mol
LogP1.87
Rot. Bonds11

About [(2R,3R,4R)-2-methoxy-4-(2-methoxyethoxymethoxy)pentan-3-yl]selanylbenzene

[(2R,3R,4R)-2-methoxy-4-(2-methoxyethoxymethoxy)pentan-3-yl]selanylbenzene (PubChem CID 15252820) has the molecular formula C16H26O4Se and a molecular weight of 361.34 g/mol. Its IUPAC name is [(2R,3R,4R)-2-methoxy-4-(2-methoxyethoxymethoxy)pentan-3-yl]selanylbenzene.

Molecular Properties

Compound Name[(2R,3R,4R)-2-methoxy-4-(2-methoxyethoxymethoxy)pentan-3-yl]selanylbenzene
PubChem CID15252820
Molecular FormulaC16H26O4Se
Molecular Weight361.34 g/mol
Exact Mass362.10
IUPAC Name[(2R,3R,4R)-2-methoxy-4-(2-methoxyethoxymethoxy)pentan-3-yl]selanylbenzene
SMILESCOCCOCO[C@H](C)[C@H]([Se]c1ccccc1)[C@@H](C)OC
InChIInChI=1S/C16H26O4Se/c1-13(18-4)16(21-15-8-6-5-7-9-15)14(2)20-12-19-11-10-17-3/h5-9,13-14,16H,10-12H2,1-4H3/t13-,14-,16-/m1/s1
InChIKeyYIRZBEPZUNKZQT-IIAWOOMASA-N
XLogP1.87
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.34
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [(2R,3R,4R)-2-methoxy-4-(2-methoxyethoxymethoxy)pentan-3-yl]selanylbenzene 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 [(2R,3R,4R)-2-methoxy-4-(2-methoxyethoxymethoxy)pentan-3-yl]selanylbenzene?
The IUPAC name of [(2R,3R,4R)-2-methoxy-4-(2-methoxyethoxymethoxy)pentan-3-yl]selanylbenzene (CID 15252820) is [(2R,3R,4R)-2-methoxy-4-(2-methoxyethoxymethoxy)pentan-3-yl]selanylbenzene.
What is the SMILES notation for [(2R,3R,4R)-2-methoxy-4-(2-methoxyethoxymethoxy)pentan-3-yl]selanylbenzene?
The canonical SMILES for [(2R,3R,4R)-2-methoxy-4-(2-methoxyethoxymethoxy)pentan-3-yl]selanylbenzene is COCCOCO[C@H](C)[C@H]([Se]c1ccccc1)[C@@H](C)OC.
What is the InChIKey of [(2R,3R,4R)-2-methoxy-4-(2-methoxyethoxymethoxy)pentan-3-yl]selanylbenzene?
The InChIKey is YIRZBEPZUNKZQT-IIAWOOMASA-N. The full InChI is InChI=1S/C16H26O4Se/c1-13(18-4)16(21-15-8-6-5-7-9-15)14(2)20-12-19-11-10-17-3/h5-9,13-14,16H,10-12H2,1-4H3/t13-,14-,16-/m1/s1.
What are the key properties of [(2R,3R,4R)-2-methoxy-4-(2-methoxyethoxymethoxy)pentan-3-yl]selanylbenzene?
[(2R,3R,4R)-2-methoxy-4-(2-methoxyethoxymethoxy)pentan-3-yl]selanylbenzene has a molecular weight of 361.34 g/mol, XLogP of 1.87, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R)-2-methoxy-4-(2-methoxyethoxymethoxy)pentan-3-yl]selanylbenzene is sourced from PubChem (CID 15252820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).