(2R,4S,6R)-5,5-dimethyl-2,6-di(propan-2-yl)-1,3-dioxan-4-ol

C12H24O3 — CID 100980565

IUPAC(2R,4S,6R)-5,5-dimethyl-2,6-di(propan-2-yl)-1,3-dioxan-4-ol
SMILESCC(C)[C@@H]1O[C@H](C(C)C)C(C)(C)[C@@H](O)O1
InChIInChI=1S/C12H24O3/c1-7(2)9-12(5,6)11(13)15-10(14-9)8(3)4/h7-11,13H,1-6H3/t9-,10-,11+/m1/s1
InChIKeyZMWJLHAYQAGTQE-MXWKQRLJSA-N
MW216.32 g/mol
LogP2.38
Rot. Bonds2

About (2R,4S,6R)-5,5-dimethyl-2,6-di(propan-2-yl)-1,3-dioxan-4-ol

(2R,4S,6R)-5,5-dimethyl-2,6-di(propan-2-yl)-1,3-dioxan-4-ol (PubChem CID 100980565) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is (2R,4S,6R)-5,5-dimethyl-2,6-di(propan-2-yl)-1,3-dioxan-4-ol.

Molecular Properties

Compound Name(2R,4S,6R)-5,5-dimethyl-2,6-di(propan-2-yl)-1,3-dioxan-4-ol
PubChem CID100980565
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name(2R,4S,6R)-5,5-dimethyl-2,6-di(propan-2-yl)-1,3-dioxan-4-ol
SMILESCC(C)[C@@H]1O[C@H](C(C)C)C(C)(C)[C@@H](O)O1
InChIInChI=1S/C12H24O3/c1-7(2)9-12(5,6)11(13)15-10(14-9)8(3)4/h7-11,13H,1-6H3/t9-,10-,11+/m1/s1
InChIKeyZMWJLHAYQAGTQE-MXWKQRLJSA-N
XLogP2.38
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,4S,6R)-5,5-dimethyl-2,6-di(propan-2-yl)-1,3-dioxan-4-ol?
The IUPAC name of (2R,4S,6R)-5,5-dimethyl-2,6-di(propan-2-yl)-1,3-dioxan-4-ol (CID 100980565) is (2R,4S,6R)-5,5-dimethyl-2,6-di(propan-2-yl)-1,3-dioxan-4-ol.
What is the SMILES notation for (2R,4S,6R)-5,5-dimethyl-2,6-di(propan-2-yl)-1,3-dioxan-4-ol?
The canonical SMILES for (2R,4S,6R)-5,5-dimethyl-2,6-di(propan-2-yl)-1,3-dioxan-4-ol is CC(C)[C@@H]1O[C@H](C(C)C)C(C)(C)[C@@H](O)O1.
What is the InChIKey of (2R,4S,6R)-5,5-dimethyl-2,6-di(propan-2-yl)-1,3-dioxan-4-ol?
The InChIKey is ZMWJLHAYQAGTQE-MXWKQRLJSA-N. The full InChI is InChI=1S/C12H24O3/c1-7(2)9-12(5,6)11(13)15-10(14-9)8(3)4/h7-11,13H,1-6H3/t9-,10-,11+/m1/s1.
What are the key properties of (2R,4S,6R)-5,5-dimethyl-2,6-di(propan-2-yl)-1,3-dioxan-4-ol?
(2R,4S,6R)-5,5-dimethyl-2,6-di(propan-2-yl)-1,3-dioxan-4-ol has a molecular weight of 216.32 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,6R)-5,5-dimethyl-2,6-di(propan-2-yl)-1,3-dioxan-4-ol is sourced from PubChem (CID 100980565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).