(6R)-2-[(2R)-2-hydroxypropyl]-6-methyl-1,3-dioxan-4-ol

C8H16O4 — CID 131176420

IUPAC(6R)-2-[(2R)-2-hydroxypropyl]-6-methyl-1,3-dioxan-4-ol
SMILESC[C@@H]1CC(O)OC(C[C@@H](C)O)O1
InChIInChI=1S/C8H16O4/c1-5(9)3-8-11-6(2)4-7(10)12-8/h5-10H,3-4H2,1-2H3/t5-,6-,7?,8?/m1/s1
InChIKeyXWHFEIYSZLQWLG-INFAEJQFSA-N
MW176.21 g/mol
LogP0.23
Rot. Bonds2

About (6R)-2-[(2R)-2-hydroxypropyl]-6-methyl-1,3-dioxan-4-ol

(6R)-2-[(2R)-2-hydroxypropyl]-6-methyl-1,3-dioxan-4-ol (PubChem CID 131176420) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is (6R)-2-[(2R)-2-hydroxypropyl]-6-methyl-1,3-dioxan-4-ol.

Molecular Properties

Compound Name(6R)-2-[(2R)-2-hydroxypropyl]-6-methyl-1,3-dioxan-4-ol
PubChem CID131176420
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name(6R)-2-[(2R)-2-hydroxypropyl]-6-methyl-1,3-dioxan-4-ol
SMILESC[C@@H]1CC(O)OC(C[C@@H](C)O)O1
InChIInChI=1S/C8H16O4/c1-5(9)3-8-11-6(2)4-7(10)12-8/h5-10H,3-4H2,1-2H3/t5-,6-,7?,8?/m1/s1
InChIKeyXWHFEIYSZLQWLG-INFAEJQFSA-N
XLogP0.23
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6R)-2-[(2R)-2-hydroxypropyl]-6-methyl-1,3-dioxan-4-ol?
The IUPAC name of (6R)-2-[(2R)-2-hydroxypropyl]-6-methyl-1,3-dioxan-4-ol (CID 131176420) is (6R)-2-[(2R)-2-hydroxypropyl]-6-methyl-1,3-dioxan-4-ol.
What is the SMILES notation for (6R)-2-[(2R)-2-hydroxypropyl]-6-methyl-1,3-dioxan-4-ol?
The canonical SMILES for (6R)-2-[(2R)-2-hydroxypropyl]-6-methyl-1,3-dioxan-4-ol is C[C@@H]1CC(O)OC(C[C@@H](C)O)O1.
What is the InChIKey of (6R)-2-[(2R)-2-hydroxypropyl]-6-methyl-1,3-dioxan-4-ol?
The InChIKey is XWHFEIYSZLQWLG-INFAEJQFSA-N. The full InChI is InChI=1S/C8H16O4/c1-5(9)3-8-11-6(2)4-7(10)12-8/h5-10H,3-4H2,1-2H3/t5-,6-,7?,8?/m1/s1.
What are the key properties of (6R)-2-[(2R)-2-hydroxypropyl]-6-methyl-1,3-dioxan-4-ol?
(6R)-2-[(2R)-2-hydroxypropyl]-6-methyl-1,3-dioxan-4-ol has a molecular weight of 176.21 g/mol, XLogP of 0.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-[(2R)-2-hydroxypropyl]-6-methyl-1,3-dioxan-4-ol is sourced from PubChem (CID 131176420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).