(5S,6S)-5,6-dimethoxy-5,6-dimethyl-1,4-oxathian-2-one

C8H14O4S — CID 101370662

IUPAC(5S,6S)-5,6-dimethoxy-5,6-dimethyl-1,4-oxathian-2-one
SMILESCO[C@@]1(C)OC(=O)CS[C@]1(C)OC
InChIInChI=1S/C8H14O4S/c1-7(10-3)8(2,11-4)13-5-6(9)12-7/h5H2,1-4H3/t7-,8-/m0/s1
InChIKeySNDAQKQPUWAXAB-YUMQZZPRSA-N
MW206.26 g/mol
LogP1.00
Rot. Bonds2

About (5S,6S)-5,6-dimethoxy-5,6-dimethyl-1,4-oxathian-2-one

(5S,6S)-5,6-dimethoxy-5,6-dimethyl-1,4-oxathian-2-one (PubChem CID 101370662) has the molecular formula C8H14O4S and a molecular weight of 206.26 g/mol. Its IUPAC name is (5S,6S)-5,6-dimethoxy-5,6-dimethyl-1,4-oxathian-2-one.

Molecular Properties

Compound Name(5S,6S)-5,6-dimethoxy-5,6-dimethyl-1,4-oxathian-2-one
PubChem CID101370662
Molecular FormulaC8H14O4S
Molecular Weight206.26 g/mol
Exact Mass206.06
IUPAC Name(5S,6S)-5,6-dimethoxy-5,6-dimethyl-1,4-oxathian-2-one
SMILESCO[C@@]1(C)OC(=O)CS[C@]1(C)OC
InChIInChI=1S/C8H14O4S/c1-7(10-3)8(2,11-4)13-5-6(9)12-7/h5H2,1-4H3/t7-,8-/m0/s1
InChIKeySNDAQKQPUWAXAB-YUMQZZPRSA-N
XLogP1.00
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5R,6R)-5,6-dimethoxy-5,6-dimethyl-1,4-oxathian-2-one
CID 101370663
2beta-Acetoxy-4beta,5-dimethyl-6,8-dioxa-3-thia-bicyclo(3,2,1)octane
CID 539118
2beta-Acetoxy-5-methyl-6,8-dioxa-3-thia-bicyclo(3,2,1)octane
CID 539119
(4-Methoxycarbonyloxythian-4-yl) methyl carbonate
CID 21805649
[(3S,6R)-3,5-diacetyloxy-6-methoxy-1,4-oxathian-2-yl]methyl acetate
CID 130388610
5,5-Diethoxy-1,3-oxathian-2-one
CID 174747933
(5,5-Diethoxy-1,3-oxathian-2-ylidene)methanone
CID 174747934

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-5,6-dimethoxy-5,6-dimethyl-1,4-oxathian-2-one?
The IUPAC name of (5S,6S)-5,6-dimethoxy-5,6-dimethyl-1,4-oxathian-2-one (CID 101370662) is (5S,6S)-5,6-dimethoxy-5,6-dimethyl-1,4-oxathian-2-one.
What is the SMILES notation for (5S,6S)-5,6-dimethoxy-5,6-dimethyl-1,4-oxathian-2-one?
The canonical SMILES for (5S,6S)-5,6-dimethoxy-5,6-dimethyl-1,4-oxathian-2-one is CO[C@@]1(C)OC(=O)CS[C@]1(C)OC.
What is the InChIKey of (5S,6S)-5,6-dimethoxy-5,6-dimethyl-1,4-oxathian-2-one?
The InChIKey is SNDAQKQPUWAXAB-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H14O4S/c1-7(10-3)8(2,11-4)13-5-6(9)12-7/h5H2,1-4H3/t7-,8-/m0/s1.
What are the key properties of (5S,6S)-5,6-dimethoxy-5,6-dimethyl-1,4-oxathian-2-one?
(5S,6S)-5,6-dimethoxy-5,6-dimethyl-1,4-oxathian-2-one has a molecular weight of 206.26 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-5,6-dimethoxy-5,6-dimethyl-1,4-oxathian-2-one is sourced from PubChem (CID 101370662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).