(2R,4R,5R,6R)-2-tert-butyl-5,6-dimethyl-1,3-dioxan-4-ol

C10H20O3 — CID 131134310

IUPAC(2R,4R,5R,6R)-2-tert-butyl-5,6-dimethyl-1,3-dioxan-4-ol
SMILESC[C@H]1[C@H](O)O[C@H](C(C)(C)C)O[C@@H]1C
InChIInChI=1S/C10H20O3/c1-6-7(2)12-9(10(3,4)5)13-8(6)11/h6-9,11H,1-5H3/t6-,7-,8-,9-/m1/s1
InChIKeyJZQZBPOLVDQGJO-FNCVBFRFSA-N
MW188.27 g/mol
LogP1.75
Rot. Bonds

About (2R,4R,5R,6R)-2-tert-butyl-5,6-dimethyl-1,3-dioxan-4-ol

(2R,4R,5R,6R)-2-tert-butyl-5,6-dimethyl-1,3-dioxan-4-ol (PubChem CID 131134310) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is (2R,4R,5R,6R)-2-tert-butyl-5,6-dimethyl-1,3-dioxan-4-ol.

Molecular Properties

Compound Name(2R,4R,5R,6R)-2-tert-butyl-5,6-dimethyl-1,3-dioxan-4-ol
PubChem CID131134310
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name(2R,4R,5R,6R)-2-tert-butyl-5,6-dimethyl-1,3-dioxan-4-ol
SMILESC[C@H]1[C@H](O)O[C@H](C(C)(C)C)O[C@@H]1C
InChIInChI=1S/C10H20O3/c1-6-7(2)12-9(10(3,4)5)13-8(6)11/h6-9,11H,1-5H3/t6-,7-,8-,9-/m1/s1
InChIKeyJZQZBPOLVDQGJO-FNCVBFRFSA-N
XLogP1.75
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,4R,5R,6R)-2-tert-butyl-5,6-dimethyl-1,3-dioxan-4-ol?
The IUPAC name of (2R,4R,5R,6R)-2-tert-butyl-5,6-dimethyl-1,3-dioxan-4-ol (CID 131134310) is (2R,4R,5R,6R)-2-tert-butyl-5,6-dimethyl-1,3-dioxan-4-ol.
What is the SMILES notation for (2R,4R,5R,6R)-2-tert-butyl-5,6-dimethyl-1,3-dioxan-4-ol?
The canonical SMILES for (2R,4R,5R,6R)-2-tert-butyl-5,6-dimethyl-1,3-dioxan-4-ol is C[C@H]1[C@H](O)O[C@H](C(C)(C)C)O[C@@H]1C.
What is the InChIKey of (2R,4R,5R,6R)-2-tert-butyl-5,6-dimethyl-1,3-dioxan-4-ol?
The InChIKey is JZQZBPOLVDQGJO-FNCVBFRFSA-N. The full InChI is InChI=1S/C10H20O3/c1-6-7(2)12-9(10(3,4)5)13-8(6)11/h6-9,11H,1-5H3/t6-,7-,8-,9-/m1/s1.
What are the key properties of (2R,4R,5R,6R)-2-tert-butyl-5,6-dimethyl-1,3-dioxan-4-ol?
(2R,4R,5R,6R)-2-tert-butyl-5,6-dimethyl-1,3-dioxan-4-ol has a molecular weight of 188.27 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5R,6R)-2-tert-butyl-5,6-dimethyl-1,3-dioxan-4-ol is sourced from PubChem (CID 131134310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).