(2R,4R,6R)-2,4-dimethoxy-2-methyl-6-[(4-methylphenyl)sulfinylmethyl]oxane

C16H24O4S — CID 101359919

IUPAC(2R,4R,6R)-2,4-dimethoxy-2-methyl-6-[(4-methylphenyl)sulfinylmethyl]oxane
SMILESCO[C@@H]1C[C@H](CS(=O)c2ccc(C)cc2)O[C@@](C)(OC)C1
InChIInChI=1S/C16H24O4S/c1-12-5-7-15(8-6-12)21(17)11-14-9-13(18-3)10-16(2,19-4)20-14/h5-8,13-14H,9-11H2,1-4H3/t13-,14-,16-,21?/m1/s1
InChIKeyBGVCBGGYQCGFAJ-ODHZXMJFSA-N
MW312.43 g/mol
LogP2.66
Rot. Bonds5

About (2R,4R,6R)-2,4-dimethoxy-2-methyl-6-[(4-methylphenyl)sulfinylmethyl]oxane

(2R,4R,6R)-2,4-dimethoxy-2-methyl-6-[(4-methylphenyl)sulfinylmethyl]oxane (PubChem CID 101359919) has the molecular formula C16H24O4S and a molecular weight of 312.43 g/mol. Its IUPAC name is (2R,4R,6R)-2,4-dimethoxy-2-methyl-6-[(4-methylphenyl)sulfinylmethyl]oxane.

Molecular Properties

Compound Name(2R,4R,6R)-2,4-dimethoxy-2-methyl-6-[(4-methylphenyl)sulfinylmethyl]oxane
PubChem CID101359919
Molecular FormulaC16H24O4S
Molecular Weight312.43 g/mol
Exact Mass312.14
IUPAC Name(2R,4R,6R)-2,4-dimethoxy-2-methyl-6-[(4-methylphenyl)sulfinylmethyl]oxane
SMILESCO[C@@H]1C[C@H](CS(=O)c2ccc(C)cc2)O[C@@](C)(OC)C1
InChIInChI=1S/C16H24O4S/c1-12-5-7-15(8-6-12)21(17)11-14-9-13(18-3)10-16(2,19-4)20-14/h5-8,13-14H,9-11H2,1-4H3/t13-,14-,16-,21?/m1/s1
InChIKeyBGVCBGGYQCGFAJ-ODHZXMJFSA-N
XLogP2.66
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R,4R,6R)-2,4-dimethoxy-2-methyl-6-[(4-methylphenyl)sulfinylmethyl]oxane with MolForge

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Related Compounds

methyl 2-[(4R,6S)-2,2-dimethyl-6-[(4-methylphenyl)sulfinylmethyl]-1,3-dioxan-4-yl]acetate
CID 100993064
2-[(4R,6R)-2,2-dimethyl-6-[(4-methylphenyl)sulfinylmethyl]-1,3-dioxan-4-yl]-N-methoxy-N-methylacetamide
CID 101359920
(4R,5S)-2,2,4-trimethyl-5-[(4-methylphenyl)sulfinylmethyl]-1,3-dioxolane
CID 100924238
(4S,5S)-2,2-dimethyl-4-[(4-methylphenyl)sulfinylmethyl]-5-prop-2-enyl-1,3-dioxolane
CID 100924241
(4R,6S)-4-(benzenesulfinylmethyl)-2,2-dimethyl-6-prop-2-enyl-1,3-dioxane
CID 10517908
1-(dimethoxyphosphorylmethylsulfinyl)-4-methylbenzene
CID 13012381
(4S,5S,6R)-5-bromo-4-butyl-2,2-dimethyl-6-[[(R)-(4-methylphenyl)sulfinyl]methyl]-1,3-dioxane
CID 12000407
(2R)-2-methyl-2-[[(R)-(4-methylphenyl)sulfinyl]methyl]oxolane
CID 11264913
1-(2,2-dimethoxyethylsulfinyl)-4-methylbenzene
CID 66220895
4,4-dimethoxy-3,5-dimethyl-1-[[(R)-(4-methylphenyl)sulfinyl]methyl]cyclohexa-2,5-dien-1-ol
CID 10616867
methyl 2-[(R)-(4-methylphenyl)sulfinyl]acetate
CID 10751029
2-[(4-bromophenyl)sulfinylmethyl]oxirane
CID 115474745

Frequently Asked Questions

What is the IUPAC name of (2R,4R,6R)-2,4-dimethoxy-2-methyl-6-[(4-methylphenyl)sulfinylmethyl]oxane?
The IUPAC name of (2R,4R,6R)-2,4-dimethoxy-2-methyl-6-[(4-methylphenyl)sulfinylmethyl]oxane (CID 101359919) is (2R,4R,6R)-2,4-dimethoxy-2-methyl-6-[(4-methylphenyl)sulfinylmethyl]oxane.
What is the SMILES notation for (2R,4R,6R)-2,4-dimethoxy-2-methyl-6-[(4-methylphenyl)sulfinylmethyl]oxane?
The canonical SMILES for (2R,4R,6R)-2,4-dimethoxy-2-methyl-6-[(4-methylphenyl)sulfinylmethyl]oxane is CO[C@@H]1C[C@H](CS(=O)c2ccc(C)cc2)O[C@@](C)(OC)C1.
What is the InChIKey of (2R,4R,6R)-2,4-dimethoxy-2-methyl-6-[(4-methylphenyl)sulfinylmethyl]oxane?
The InChIKey is BGVCBGGYQCGFAJ-ODHZXMJFSA-N. The full InChI is InChI=1S/C16H24O4S/c1-12-5-7-15(8-6-12)21(17)11-14-9-13(18-3)10-16(2,19-4)20-14/h5-8,13-14H,9-11H2,1-4H3/t13-,14-,16-,21?/m1/s1.
What are the key properties of (2R,4R,6R)-2,4-dimethoxy-2-methyl-6-[(4-methylphenyl)sulfinylmethyl]oxane?
(2R,4R,6R)-2,4-dimethoxy-2-methyl-6-[(4-methylphenyl)sulfinylmethyl]oxane has a molecular weight of 312.43 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,6R)-2,4-dimethoxy-2-methyl-6-[(4-methylphenyl)sulfinylmethyl]oxane is sourced from PubChem (CID 101359919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).