2,2-dimethyl-4H-1,3-dioxin-6-ol

C6H10O3 — CID 70466683

IUPAC2,2-dimethyl-4H-1,3-dioxin-6-ol
SMILESCC1(C)OCC=C(O)O1
InChIInChI=1S/C6H10O3/c1-6(2)8-4-3-5(7)9-6/h3,7H,4H2,1-2H3
InChIKeyATVLQUKEPXHHSO-UHFFFAOYSA-N
MW130.14 g/mol
LogP1.17
Rot. Bonds

About 2,2-dimethyl-4H-1,3-dioxin-6-ol

2,2-dimethyl-4H-1,3-dioxin-6-ol (PubChem CID 70466683) has the molecular formula C6H10O3 and a molecular weight of 130.14 g/mol. Its IUPAC name is 2,2-dimethyl-4H-1,3-dioxin-6-ol.

Molecular Properties

Compound Name2,2-dimethyl-4H-1,3-dioxin-6-ol
PubChem CID70466683
Molecular FormulaC6H10O3
Molecular Weight130.14 g/mol
Exact Mass130.06
IUPAC Name2,2-dimethyl-4H-1,3-dioxin-6-ol
SMILESCC1(C)OCC=C(O)O1
InChIInChI=1S/C6H10O3/c1-6(2)8-4-3-5(7)9-6/h3,7H,4H2,1-2H3
InChIKeyATVLQUKEPXHHSO-UHFFFAOYSA-N
XLogP1.17
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.14
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-4H-1,3-dioxin-6-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4H-1,3-dioxin-6-ol?
The IUPAC name of 2,2-dimethyl-4H-1,3-dioxin-6-ol (CID 70466683) is 2,2-dimethyl-4H-1,3-dioxin-6-ol.
What is the SMILES notation for 2,2-dimethyl-4H-1,3-dioxin-6-ol?
The canonical SMILES for 2,2-dimethyl-4H-1,3-dioxin-6-ol is CC1(C)OCC=C(O)O1.
What is the InChIKey of 2,2-dimethyl-4H-1,3-dioxin-6-ol?
The InChIKey is ATVLQUKEPXHHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3/c1-6(2)8-4-3-5(7)9-6/h3,7H,4H2,1-2H3.
What are the key properties of 2,2-dimethyl-4H-1,3-dioxin-6-ol?
2,2-dimethyl-4H-1,3-dioxin-6-ol has a molecular weight of 130.14 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4H-1,3-dioxin-6-ol is sourced from PubChem (CID 70466683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).