[(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'}

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Related Compounds

(3R,4R,5S)-5-methoxy-4-phenylselanylhexan-3-ol
CID 134931525
1-(2-methoxyethoxymethoxy)-2-propan-2-ylbenzene
CID 57457861
3-methoxy-2-phenylselanylbutan-1-ol
CID 10890597
[(E,1R,4S)-4-(2-methoxyethoxymethoxy)-1-phenylpent-2-enyl] methyl carbonate
CID 10615961
(E,3S,6S)-6-(2-methoxyethoxymethoxy)-3-phenylhept-4-enoic acid
CID 100924631
2-(2-methoxyethoxymethoxy)-3-phenylpropan-1-ol
CID 11424981
[(E,3S)-3-(2-methoxyethoxymethoxy)-4-methylpent-1-enyl]sulfonylbenzene
CID 15935898
[(2S,3R,4R,5S)-2,5-diazido-3,4-bis(2-methoxyethoxymethoxy)-6-phenoxyhexoxy]benzene
CID 10721595
benzene;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 19879698
[(2R,3S)-3-chloro-1,1,4,4-tetramethoxybutan-2-yl]selanylbenzene
CID 10937473
1-(2-methoxyethoxymethoxy)-N,N-bis[1-(2-methoxyethoxymethoxy)ethyl]ethanamine
CID 87791179
2-methoxyethoxymethyl benzoate
CID 11275823

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).