(2R,4S,5R)-4-(hydroxymethyl)-2,5-dimethyl-1,3-dioxan-5-ol

C7H14O4 — CID 102066276

IUPAC(2R,4S,5R)-4-(hydroxymethyl)-2,5-dimethyl-1,3-dioxan-5-ol
SMILESC[C@@H]1OC[C@@](C)(O)[C@H](CO)O1
InChIInChI=1S/C7H14O4/c1-5-10-4-7(2,9)6(3-8)11-5/h5-6,8-9H,3-4H2,1-2H3/t5-,6+,7-/m1/s1
InChIKeyLIUZTRPRLFNKKJ-DSYKOEDSSA-N
MW162.18 g/mol
LogP-0.51
Rot. Bonds1

About (2R,4S,5R)-4-(hydroxymethyl)-2,5-dimethyl-1,3-dioxan-5-ol

(2R,4S,5R)-4-(hydroxymethyl)-2,5-dimethyl-1,3-dioxan-5-ol (PubChem CID 102066276) has the molecular formula C7H14O4 and a molecular weight of 162.18 g/mol. Its IUPAC name is (2R,4S,5R)-4-(hydroxymethyl)-2,5-dimethyl-1,3-dioxan-5-ol.

Molecular Properties

Compound Name(2R,4S,5R)-4-(hydroxymethyl)-2,5-dimethyl-1,3-dioxan-5-ol
PubChem CID102066276
Molecular FormulaC7H14O4
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name(2R,4S,5R)-4-(hydroxymethyl)-2,5-dimethyl-1,3-dioxan-5-ol
SMILESC[C@@H]1OC[C@@](C)(O)[C@H](CO)O1
InChIInChI=1S/C7H14O4/c1-5-10-4-7(2,9)6(3-8)11-5/h5-6,8-9H,3-4H2,1-2H3/t5-,6+,7-/m1/s1
InChIKeyLIUZTRPRLFNKKJ-DSYKOEDSSA-N
XLogP-0.51
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R)-4-(hydroxymethyl)-2,5-dimethyl-1,3-dioxan-5-ol?
The IUPAC name of (2R,4S,5R)-4-(hydroxymethyl)-2,5-dimethyl-1,3-dioxan-5-ol (CID 102066276) is (2R,4S,5R)-4-(hydroxymethyl)-2,5-dimethyl-1,3-dioxan-5-ol.
What is the SMILES notation for (2R,4S,5R)-4-(hydroxymethyl)-2,5-dimethyl-1,3-dioxan-5-ol?
The canonical SMILES for (2R,4S,5R)-4-(hydroxymethyl)-2,5-dimethyl-1,3-dioxan-5-ol is C[C@@H]1OC[C@@](C)(O)[C@H](CO)O1.
What is the InChIKey of (2R,4S,5R)-4-(hydroxymethyl)-2,5-dimethyl-1,3-dioxan-5-ol?
The InChIKey is LIUZTRPRLFNKKJ-DSYKOEDSSA-N. The full InChI is InChI=1S/C7H14O4/c1-5-10-4-7(2,9)6(3-8)11-5/h5-6,8-9H,3-4H2,1-2H3/t5-,6+,7-/m1/s1.
What are the key properties of (2R,4S,5R)-4-(hydroxymethyl)-2,5-dimethyl-1,3-dioxan-5-ol?
(2R,4S,5R)-4-(hydroxymethyl)-2,5-dimethyl-1,3-dioxan-5-ol has a molecular weight of 162.18 g/mol, XLogP of -0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5R)-4-(hydroxymethyl)-2,5-dimethyl-1,3-dioxan-5-ol is sourced from PubChem (CID 102066276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).