dioxomanganese;[(2S,6R)-6-(2-hydroxypropan-2-yl)-3,3-dimethyloxan-2-yl]methyl acetate;methanol

C14H28MnO7 — CID 134830528

IUPACdioxomanganese;[(2S,6R)-6-(2-hydroxypropan-2-yl)-3,3-dimethyloxan-2-yl]methyl acetate;methanol
SMILESCC(=O)OC[C@H]1O[C@@H](C(C)(C)O)CCC1(C)C.CO.O=[Mn]=O
InChIInChI=1S/C13H24O4.CH4O.Mn.2O/c1-9(14)16-8-11-12(2,3)7-6-10(17-11)13(4,5)15;1-2;;;/h10-11,15H,6-8H2,1-5H3;2H,1H3;;;/t10-,11-;;;;/m1..../s1
InChIKeyCGVZGDLDNXTIPU-XGUKMECDSA-N
MW363.31 g/mol
LogP1.26
Rot. Bonds3

About dioxomanganese;[(2S,6R)-6-(2-hydroxypropan-2-yl)-3,3-dimethyloxan-2-yl]methyl acetate;methanol

dioxomanganese;[(2S,6R)-6-(2-hydroxypropan-2-yl)-3,3-dimethyloxan-2-yl]methyl acetate;methanol (PubChem CID 134830528) has the molecular formula C14H28MnO7 and a molecular weight of 363.31 g/mol. Its IUPAC name is dioxomanganese;[(2S,6R)-6-(2-hydroxypropan-2-yl)-3,3-dimethyloxan-2-yl]methyl acetate;methanol.

Molecular Properties

Compound Namedioxomanganese;[(2S,6R)-6-(2-hydroxypropan-2-yl)-3,3-dimethyloxan-2-yl]methyl acetate;methanol
PubChem CID134830528
Molecular FormulaC14H28MnO7
Molecular Weight363.31 g/mol
Exact Mass363.12
IUPAC Namedioxomanganese;[(2S,6R)-6-(2-hydroxypropan-2-yl)-3,3-dimethyloxan-2-yl]methyl acetate;methanol
SMILESCC(=O)OC[C@H]1O[C@@H](C(C)(C)O)CCC1(C)C.CO.O=[Mn]=O
InChIInChI=1S/C13H24O4.CH4O.Mn.2O/c1-9(14)16-8-11-12(2,3)7-6-10(17-11)13(4,5)15;1-2;;;/h10-11,15H,6-8H2,1-5H3;2H,1H3;;;/t10-,11-;;;;/m1..../s1
InChIKeyCGVZGDLDNXTIPU-XGUKMECDSA-N
XLogP1.26
TPSA110.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.31
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[(2S,6R)-6-(2-hydroxypropan-2-yl)-3,3-dimethyloxan-2-yl]methyl acetate
CID 134830529
[(E,6R)-6-hydroxy-6-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3-methylhex-2-enyl] acetate
CID 72695955
[(4S)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]methyl acetate
CID 14238819
[(2E,6Z,10S)-10-hydroxy-10-[(2S,5R)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3,7-dimethyldeca-2,6-dienyl] acetate
CID 101251988
2-oxaspiro[4.5]decan-1-ylmethyl acetate
CID 102349423
cyclopropylmethyl acetate
CID 538333
[(2S,3R)-3-acetyloxy-3-methyloxepan-2-yl]methyl acetate
CID 100952291
(6-ethyl-2,2-dimethylcyclohexyl)methyl acetate
CID 70464202
[(2R,3S,4R,5R,6S)-4,5,6-triacetyloxy-3-acetylperoxy-3-hydroxyoxan-2-yl]methyl acetate
CID 132917873
4-[[3-hydroxy-6-(2-hydroxypropan-2-yl)-3-methyloxan-2-yl]methoxy]furo[3,2-g]chromen-7-one
CID 73050517
2-[5-(2-hydroxypropan-2-yl)-2-methylthiolan-2-yl]ethyl acetate
CID 118437130
[(2R,3R)-3-methyl-3-(4-methylpent-3-enyl)oxiran-2-yl]methyl acetate
CID 12624048

Frequently Asked Questions

What is the IUPAC name of dioxomanganese;[(2S,6R)-6-(2-hydroxypropan-2-yl)-3,3-dimethyloxan-2-yl]methyl acetate;methanol?
The IUPAC name of dioxomanganese;[(2S,6R)-6-(2-hydroxypropan-2-yl)-3,3-dimethyloxan-2-yl]methyl acetate;methanol (CID 134830528) is dioxomanganese;[(2S,6R)-6-(2-hydroxypropan-2-yl)-3,3-dimethyloxan-2-yl]methyl acetate;methanol.
What is the SMILES notation for dioxomanganese;[(2S,6R)-6-(2-hydroxypropan-2-yl)-3,3-dimethyloxan-2-yl]methyl acetate;methanol?
The canonical SMILES for dioxomanganese;[(2S,6R)-6-(2-hydroxypropan-2-yl)-3,3-dimethyloxan-2-yl]methyl acetate;methanol is CC(=O)OC[C@H]1O[C@@H](C(C)(C)O)CCC1(C)C.CO.O=[Mn]=O.
What is the InChIKey of dioxomanganese;[(2S,6R)-6-(2-hydroxypropan-2-yl)-3,3-dimethyloxan-2-yl]methyl acetate;methanol?
The InChIKey is CGVZGDLDNXTIPU-XGUKMECDSA-N. The full InChI is InChI=1S/C13H24O4.CH4O.Mn.2O/c1-9(14)16-8-11-12(2,3)7-6-10(17-11)13(4,5)15;1-2;;;/h10-11,15H,6-8H2,1-5H3;2H,1H3;;;/t10-,11-;;;;/m1..../s1.
What are the key properties of dioxomanganese;[(2S,6R)-6-(2-hydroxypropan-2-yl)-3,3-dimethyloxan-2-yl]methyl acetate;methanol?
dioxomanganese;[(2S,6R)-6-(2-hydroxypropan-2-yl)-3,3-dimethyloxan-2-yl]methyl acetate;methanol has a molecular weight of 363.31 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dioxomanganese;[(2S,6R)-6-(2-hydroxypropan-2-yl)-3,3-dimethyloxan-2-yl]methyl acetate;methanol is sourced from PubChem (CID 134830528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).