2,2-dimethyl-1,3-dioxan-5-ol

C6H12O3 — CID 11029884

IUPAC2,2-dimethyl-1,3-dioxan-5-ol
SMILESCC1(C)OCC(O)CO1
InChIInChI=1S/C6H12O3/c1-6(2)8-3-5(7)4-9-6/h5,7H,3-4H2,1-2H3
InChIKeyCGNOMSJAJQUXAT-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.13
Rot. Bonds

About 2,2-dimethyl-1,3-dioxan-5-ol

2,2-dimethyl-1,3-dioxan-5-ol (PubChem CID 11029884) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is 2,2-dimethyl-1,3-dioxan-5-ol.

Molecular Properties

Compound Name2,2-dimethyl-1,3-dioxan-5-ol
PubChem CID11029884
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name2,2-dimethyl-1,3-dioxan-5-ol
SMILESCC1(C)OCC(O)CO1
InChIInChI=1S/C6H12O3/c1-6(2)8-3-5(7)4-9-6/h5,7H,3-4H2,1-2H3
InChIKeyCGNOMSJAJQUXAT-UHFFFAOYSA-N
XLogP0.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,3-dioxan-5-ol?
The IUPAC name of 2,2-dimethyl-1,3-dioxan-5-ol (CID 11029884) is 2,2-dimethyl-1,3-dioxan-5-ol.
What is the SMILES notation for 2,2-dimethyl-1,3-dioxan-5-ol?
The canonical SMILES for 2,2-dimethyl-1,3-dioxan-5-ol is CC1(C)OCC(O)CO1.
What is the InChIKey of 2,2-dimethyl-1,3-dioxan-5-ol?
The InChIKey is CGNOMSJAJQUXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c1-6(2)8-3-5(7)4-9-6/h5,7H,3-4H2,1-2H3.
What are the key properties of 2,2-dimethyl-1,3-dioxan-5-ol?
2,2-dimethyl-1,3-dioxan-5-ol has a molecular weight of 132.16 g/mol, XLogP of 0.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,3-dioxan-5-ol is sourced from PubChem (CID 11029884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).