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

C12H24O3 — CID 10910953

IUPAC5,5-dimethyl-2,6-di(propan-2-yl)-1,3-dioxan-4-ol
SMILESCC(C)C1OC(O)C(C)(C)C(C(C)C)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
InChIKeyZMWJLHAYQAGTQE-UHFFFAOYSA-N
MW216.32 g/mol
LogP2.38
Rot. Bonds2

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

5,5-dimethyl-2,6-di(propan-2-yl)-1,3-dioxan-4-ol (PubChem CID 10910953) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is 5,5-dimethyl-2,6-di(propan-2-yl)-1,3-dioxan-4-ol.

Molecular Properties

Compound Name5,5-dimethyl-2,6-di(propan-2-yl)-1,3-dioxan-4-ol
PubChem CID10910953
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Name5,5-dimethyl-2,6-di(propan-2-yl)-1,3-dioxan-4-ol
SMILESCC(C)C1OC(O)C(C)(C)C(C(C)C)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
InChIKeyZMWJLHAYQAGTQE-UHFFFAOYSA-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 5,5-dimethyl-2,6-di(propan-2-yl)-1,3-dioxan-4-ol?
The IUPAC name of 5,5-dimethyl-2,6-di(propan-2-yl)-1,3-dioxan-4-ol (CID 10910953) is 5,5-dimethyl-2,6-di(propan-2-yl)-1,3-dioxan-4-ol.
What is the SMILES notation for 5,5-dimethyl-2,6-di(propan-2-yl)-1,3-dioxan-4-ol?
The canonical SMILES for 5,5-dimethyl-2,6-di(propan-2-yl)-1,3-dioxan-4-ol is CC(C)C1OC(O)C(C)(C)C(C(C)C)O1.
What is the InChIKey of 5,5-dimethyl-2,6-di(propan-2-yl)-1,3-dioxan-4-ol?
The InChIKey is ZMWJLHAYQAGTQE-UHFFFAOYSA-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.
What are the key properties of 5,5-dimethyl-2,6-di(propan-2-yl)-1,3-dioxan-4-ol?
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 5,5-dimethyl-2,6-di(propan-2-yl)-1,3-dioxan-4-ol is sourced from PubChem (CID 10910953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).