[(2R,3S)-3-(methoxymethoxy)-2,4-dimethylpentyl]sulfonylbenzene

C15H24O4S — CID 10425254

IUPAC[(2R,3S)-3-(methoxymethoxy)-2,4-dimethylpentyl]sulfonylbenzene
SMILESCOCO[C@@H](C(C)C)[C@@H](C)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H24O4S/c1-12(2)15(19-11-18-4)13(3)10-20(16,17)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3/t13-,15-/m0/s1
InChIKeyABJQJIMEUNAHRZ-ZFWWWQNUSA-N
MW300.42 g/mol
LogP2.74
Rot. Bonds8

About [(2R,3S)-3-(methoxymethoxy)-2,4-dimethylpentyl]sulfonylbenzene

[(2R,3S)-3-(methoxymethoxy)-2,4-dimethylpentyl]sulfonylbenzene (PubChem CID 10425254) has the molecular formula C15H24O4S and a molecular weight of 300.42 g/mol. Its IUPAC name is [(2R,3S)-3-(methoxymethoxy)-2,4-dimethylpentyl]sulfonylbenzene.

Molecular Properties

Compound Name[(2R,3S)-3-(methoxymethoxy)-2,4-dimethylpentyl]sulfonylbenzene
PubChem CID10425254
Molecular FormulaC15H24O4S
Molecular Weight300.42 g/mol
Exact Mass300.14
IUPAC Name[(2R,3S)-3-(methoxymethoxy)-2,4-dimethylpentyl]sulfonylbenzene
SMILESCOCO[C@@H](C(C)C)[C@@H](C)CS(=O)(=O)c1ccccc1
InChIInChI=1S/C15H24O4S/c1-12(2)15(19-11-18-4)13(3)10-20(16,17)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3/t13-,15-/m0/s1
InChIKeyABJQJIMEUNAHRZ-ZFWWWQNUSA-N
XLogP2.74
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[1-Fluoro-3-(methoxymethoxy)propyl]sulfonyl-4-methylbenzene
CID 121011793
Benzene, ((2,2-dimethoxyethyl)sulfonyl)-
CID 554535
1-(3,3-Dimethoxypropylsulfonyl)-4-methylbenzene
CID 10901308
[(3,3,3-Trimethoxypropyl)sulfonyl]benzene
CID 10901794
1-[1-Fluoro-3-(methoxymethoxy)-2-methylsulfanylpropyl]sulfonyl-4-methylbenzene
CID 134875906
[(E)-2-[(1S,2R)-2-(methoxymethoxy)cyclopropyl]ethenyl]sulfonylbenzene
CID 11369195
(2R,3S)-6-(benzenesulfonyl)-2,3-dimethyloxane
CID 14446823
5-(benzenesulfonyl)-2-ethoxy-6-methyl-3,4-dihydro-2H-pyran
CID 14913023
(1-Fluoro-2,2-dimethoxyethyl)sulfonylbenzene
CID 14929164
[4,4,4-Trifluoro-3-(methoxymethoxy)-2-methyl-3-(trifluoromethyl)butyl]sulfonylbenzene
CID 13988923
[4,4,4-Trifluoro-3-(methoxymethoxy)-3-(trifluoromethyl)butyl]sulfonylbenzene
CID 13988924
3-(Methoxymethoxy)-1-phenylthiolan-1-ium;trifluoromethanesulfonate
CID 18350131

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-3-(methoxymethoxy)-2,4-dimethylpentyl]sulfonylbenzene?
The IUPAC name of [(2R,3S)-3-(methoxymethoxy)-2,4-dimethylpentyl]sulfonylbenzene (CID 10425254) is [(2R,3S)-3-(methoxymethoxy)-2,4-dimethylpentyl]sulfonylbenzene.
What is the SMILES notation for [(2R,3S)-3-(methoxymethoxy)-2,4-dimethylpentyl]sulfonylbenzene?
The canonical SMILES for [(2R,3S)-3-(methoxymethoxy)-2,4-dimethylpentyl]sulfonylbenzene is COCO[C@@H](C(C)C)[C@@H](C)CS(=O)(=O)c1ccccc1.
What is the InChIKey of [(2R,3S)-3-(methoxymethoxy)-2,4-dimethylpentyl]sulfonylbenzene?
The InChIKey is ABJQJIMEUNAHRZ-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H24O4S/c1-12(2)15(19-11-18-4)13(3)10-20(16,17)14-8-6-5-7-9-14/h5-9,12-13,15H,10-11H2,1-4H3/t13-,15-/m0/s1.
What are the key properties of [(2R,3S)-3-(methoxymethoxy)-2,4-dimethylpentyl]sulfonylbenzene?
[(2R,3S)-3-(methoxymethoxy)-2,4-dimethylpentyl]sulfonylbenzene has a molecular weight of 300.42 g/mol, XLogP of 2.74, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-3-(methoxymethoxy)-2,4-dimethylpentyl]sulfonylbenzene is sourced from PubChem (CID 10425254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).