(2R,4R,5R)-2-tert-butyl-4-methoxy-5-methyl-1,3-dioxan-5-ol

C10H20O4 — CID 139206522

IUPAC(2R,4R,5R)-2-tert-butyl-4-methoxy-5-methyl-1,3-dioxan-5-ol
SMILESCO[C@@H]1O[C@H](C(C)(C)C)OC[C@@]1(C)O
InChIInChI=1S/C10H20O4/c1-9(2,3)7-13-6-10(4,11)8(12-5)14-7/h7-8,11H,6H2,1-5H3/t7-,8-,10-/m1/s1
InChIKeyAMBPPAFCUIGGRE-NQMVMOMDSA-N
MW204.27 g/mol
LogP1.13
Rot. Bonds1

About (2R,4R,5R)-2-tert-butyl-4-methoxy-5-methyl-1,3-dioxan-5-ol

(2R,4R,5R)-2-tert-butyl-4-methoxy-5-methyl-1,3-dioxan-5-ol (PubChem CID 139206522) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is (2R,4R,5R)-2-tert-butyl-4-methoxy-5-methyl-1,3-dioxan-5-ol.

Molecular Properties

Compound Name(2R,4R,5R)-2-tert-butyl-4-methoxy-5-methyl-1,3-dioxan-5-ol
PubChem CID139206522
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name(2R,4R,5R)-2-tert-butyl-4-methoxy-5-methyl-1,3-dioxan-5-ol
SMILESCO[C@@H]1O[C@H](C(C)(C)C)OC[C@@]1(C)O
InChIInChI=1S/C10H20O4/c1-9(2,3)7-13-6-10(4,11)8(12-5)14-7/h7-8,11H,6H2,1-5H3/t7-,8-,10-/m1/s1
InChIKeyAMBPPAFCUIGGRE-NQMVMOMDSA-N
XLogP1.13
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,4R,5R)-2-tert-butyl-4-methoxy-5-methyl-1,3-dioxan-5-ol?
The IUPAC name of (2R,4R,5R)-2-tert-butyl-4-methoxy-5-methyl-1,3-dioxan-5-ol (CID 139206522) is (2R,4R,5R)-2-tert-butyl-4-methoxy-5-methyl-1,3-dioxan-5-ol.
What is the SMILES notation for (2R,4R,5R)-2-tert-butyl-4-methoxy-5-methyl-1,3-dioxan-5-ol?
The canonical SMILES for (2R,4R,5R)-2-tert-butyl-4-methoxy-5-methyl-1,3-dioxan-5-ol is CO[C@@H]1O[C@H](C(C)(C)C)OC[C@@]1(C)O.
What is the InChIKey of (2R,4R,5R)-2-tert-butyl-4-methoxy-5-methyl-1,3-dioxan-5-ol?
The InChIKey is AMBPPAFCUIGGRE-NQMVMOMDSA-N. The full InChI is InChI=1S/C10H20O4/c1-9(2,3)7-13-6-10(4,11)8(12-5)14-7/h7-8,11H,6H2,1-5H3/t7-,8-,10-/m1/s1.
What are the key properties of (2R,4R,5R)-2-tert-butyl-4-methoxy-5-methyl-1,3-dioxan-5-ol?
(2R,4R,5R)-2-tert-butyl-4-methoxy-5-methyl-1,3-dioxan-5-ol has a molecular weight of 204.27 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5R)-2-tert-butyl-4-methoxy-5-methyl-1,3-dioxan-5-ol is sourced from PubChem (CID 139206522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).