dimethyl (3R)-3-fluorosulfonyloxyhexanedioate

C8H13FO7S — CID 10221119

IUPACdimethyl (3R)-3-fluorosulfonyloxyhexanedioate
SMILESCOC(=O)CC[C@H](CC(=O)OC)OS(=O)(=O)F
InChIInChI=1S/C8H13FO7S/c1-14-7(10)4-3-6(5-8(11)15-2)16-17(9,12)13/h6H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyHQMFBQAYMBYYMU-ZCFIWIBFSA-N
MW272.25 g/mol
LogP0.10
Rot. Bonds7

About dimethyl (3R)-3-fluorosulfonyloxyhexanedioate

dimethyl (3R)-3-fluorosulfonyloxyhexanedioate (PubChem CID 10221119) has the molecular formula C8H13FO7S and a molecular weight of 272.25 g/mol. Its IUPAC name is dimethyl (3R)-3-fluorosulfonyloxyhexanedioate.

Molecular Properties

Compound Namedimethyl (3R)-3-fluorosulfonyloxyhexanedioate
PubChem CID10221119
Molecular FormulaC8H13FO7S
Molecular Weight272.25 g/mol
Exact Mass272.04
IUPAC Namedimethyl (3R)-3-fluorosulfonyloxyhexanedioate
SMILESCOC(=O)CC[C@H](CC(=O)OC)OS(=O)(=O)F
InChIInChI=1S/C8H13FO7S/c1-14-7(10)4-3-6(5-8(11)15-2)16-17(9,12)13/h6H,3-5H2,1-2H3/t6-/m1/s1
InChIKeyHQMFBQAYMBYYMU-ZCFIWIBFSA-N
XLogP0.10
TPSA95.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl (3R)-3-methylsulfonyloxyhexadecanoate
CID 54280116
trimethyl 3-methoxypentane-1,1,5-tricarboxylate
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dimethyl 4-methylheptanedioate
CID 521222
sodium;hydride;6-methoxy-3-(2-methoxy-2-oxoethyl)-6-oxohexane-1-sulfonic acid
CID 173284448
methyl 3-(trifluoromethylsulfonyl)propanoate
CID 122163754
methyl (3S,5R)-3,5-diacetyloxy-8-oxononanoate
CID 71665499
methyl 3-methoxysulfonylpropanoate
CID 11019488
dimethyl (2S)-2-amino(1,2,3,4,5-13C5)pentanedioate
CID 171381659
methyl 5,5,5-trifluoro-4-methylpentanoate
CID 154460395
methyl propanoate;sulfuryl difluoride
CID 146421317
(3-methoxy-3-oxopropyl)-trimethylphosphanium
CID 87216267
2-(3-methoxy-3-oxopropyl)butanedioic acid
CID 54112724

Frequently Asked Questions

What is the IUPAC name of dimethyl (3R)-3-fluorosulfonyloxyhexanedioate?
The IUPAC name of dimethyl (3R)-3-fluorosulfonyloxyhexanedioate (CID 10221119) is dimethyl (3R)-3-fluorosulfonyloxyhexanedioate.
What is the SMILES notation for dimethyl (3R)-3-fluorosulfonyloxyhexanedioate?
The canonical SMILES for dimethyl (3R)-3-fluorosulfonyloxyhexanedioate is COC(=O)CC[C@H](CC(=O)OC)OS(=O)(=O)F.
What is the InChIKey of dimethyl (3R)-3-fluorosulfonyloxyhexanedioate?
The InChIKey is HQMFBQAYMBYYMU-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H13FO7S/c1-14-7(10)4-3-6(5-8(11)15-2)16-17(9,12)13/h6H,3-5H2,1-2H3/t6-/m1/s1.
What are the key properties of dimethyl (3R)-3-fluorosulfonyloxyhexanedioate?
dimethyl (3R)-3-fluorosulfonyloxyhexanedioate has a molecular weight of 272.25 g/mol, XLogP of 0.10, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (3R)-3-fluorosulfonyloxyhexanedioate is sourced from PubChem (CID 10221119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).