[(2S,3S,5R,6R)-5,6-diethoxy-3-(hydroxymethyl)-5,6-dimethyl-1,4-dioxan-2-yl]methanol

C12H24O6 — CID 10730313

IUPAC[(2S,3S,5R,6R)-5,6-diethoxy-3-(hydroxymethyl)-5,6-dimethyl-1,4-dioxan-2-yl]methanol
SMILESCCO[C@]1(C)O[C@@H](CO)[C@H](CO)O[C@@]1(C)OCC
InChIInChI=1S/C12H24O6/c1-5-15-11(3)12(4,16-6-2)18-10(8-14)9(7-13)17-11/h9-10,13-14H,5-8H2,1-4H3/t9-,10-,11+,12+/m0/s1
InChIKeyPCHSKUZDCJPVLS-NNYUYHANSA-N
MW264.32 g/mol
LogP0.26
Rot. Bonds6

About [(2S,3S,5R,6R)-5,6-diethoxy-3-(hydroxymethyl)-5,6-dimethyl-1,4-dioxan-2-yl]methanol

[(2S,3S,5R,6R)-5,6-diethoxy-3-(hydroxymethyl)-5,6-dimethyl-1,4-dioxan-2-yl]methanol (PubChem CID 10730313) has the molecular formula C12H24O6 and a molecular weight of 264.32 g/mol. Its IUPAC name is [(2S,3S,5R,6R)-5,6-diethoxy-3-(hydroxymethyl)-5,6-dimethyl-1,4-dioxan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3S,5R,6R)-5,6-diethoxy-3-(hydroxymethyl)-5,6-dimethyl-1,4-dioxan-2-yl]methanol
PubChem CID10730313
Molecular FormulaC12H24O6
Molecular Weight264.32 g/mol
Exact Mass264.16
IUPAC Name[(2S,3S,5R,6R)-5,6-diethoxy-3-(hydroxymethyl)-5,6-dimethyl-1,4-dioxan-2-yl]methanol
SMILESCCO[C@]1(C)O[C@@H](CO)[C@H](CO)O[C@@]1(C)OCC
InChIInChI=1S/C12H24O6/c1-5-15-11(3)12(4,16-6-2)18-10(8-14)9(7-13)17-11/h9-10,13-14H,5-8H2,1-4H3/t9-,10-,11+,12+/m0/s1
InChIKeyPCHSKUZDCJPVLS-NNYUYHANSA-N
XLogP0.26
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S,5R,6R)-5,6-diethoxy-3-(hydroxymethyl)-5,6-dimethyl-1,4-dioxan-2-yl]methanol?
The IUPAC name of [(2S,3S,5R,6R)-5,6-diethoxy-3-(hydroxymethyl)-5,6-dimethyl-1,4-dioxan-2-yl]methanol (CID 10730313) is [(2S,3S,5R,6R)-5,6-diethoxy-3-(hydroxymethyl)-5,6-dimethyl-1,4-dioxan-2-yl]methanol.
What is the SMILES notation for [(2S,3S,5R,6R)-5,6-diethoxy-3-(hydroxymethyl)-5,6-dimethyl-1,4-dioxan-2-yl]methanol?
The canonical SMILES for [(2S,3S,5R,6R)-5,6-diethoxy-3-(hydroxymethyl)-5,6-dimethyl-1,4-dioxan-2-yl]methanol is CCO[C@]1(C)O[C@@H](CO)[C@H](CO)O[C@@]1(C)OCC.
What is the InChIKey of [(2S,3S,5R,6R)-5,6-diethoxy-3-(hydroxymethyl)-5,6-dimethyl-1,4-dioxan-2-yl]methanol?
The InChIKey is PCHSKUZDCJPVLS-NNYUYHANSA-N. The full InChI is InChI=1S/C12H24O6/c1-5-15-11(3)12(4,16-6-2)18-10(8-14)9(7-13)17-11/h9-10,13-14H,5-8H2,1-4H3/t9-,10-,11+,12+/m0/s1.
What are the key properties of [(2S,3S,5R,6R)-5,6-diethoxy-3-(hydroxymethyl)-5,6-dimethyl-1,4-dioxan-2-yl]methanol?
[(2S,3S,5R,6R)-5,6-diethoxy-3-(hydroxymethyl)-5,6-dimethyl-1,4-dioxan-2-yl]methanol has a molecular weight of 264.32 g/mol, XLogP of 0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,5R,6R)-5,6-diethoxy-3-(hydroxymethyl)-5,6-dimethyl-1,4-dioxan-2-yl]methanol is sourced from PubChem (CID 10730313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).