2,2-dimethyl-1,3-dioxolan-4-ol

C5H10O3 — CID 15582219

IUPAC2,2-dimethyl-1,3-dioxolan-4-ol
SMILESCC1(C)OCC(O)O1
InChIInChI=1S/C5H10O3/c1-5(2)7-3-4(6)8-5/h4,6H,3H2,1-2H3
InChIKeyZIAVDTKGXIGCQW-UHFFFAOYSA-N
MW118.13 g/mol
LogP0.09
Rot. Bonds

About 2,2-dimethyl-1,3-dioxolan-4-ol

2,2-dimethyl-1,3-dioxolan-4-ol (PubChem CID 15582219) has the molecular formula C5H10O3 and a molecular weight of 118.13 g/mol. Its IUPAC name is 2,2-dimethyl-1,3-dioxolan-4-ol.

Molecular Properties

Compound Name2,2-dimethyl-1,3-dioxolan-4-ol
PubChem CID15582219
Molecular FormulaC5H10O3
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Name2,2-dimethyl-1,3-dioxolan-4-ol
SMILESCC1(C)OCC(O)O1
InChIInChI=1S/C5H10O3/c1-5(2)7-3-4(6)8-5/h4,6H,3H2,1-2H3
InChIKeyZIAVDTKGXIGCQW-UHFFFAOYSA-N
XLogP0.09
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 50.09
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-dioxolan-4-ol?
The IUPAC name of 2,2-dimethyl-1,3-dioxolan-4-ol (CID 15582219) is 2,2-dimethyl-1,3-dioxolan-4-ol.
What is the SMILES notation for 2,2-dimethyl-1,3-dioxolan-4-ol?
The canonical SMILES for 2,2-dimethyl-1,3-dioxolan-4-ol is CC1(C)OCC(O)O1.
What is the InChIKey of 2,2-dimethyl-1,3-dioxolan-4-ol?
The InChIKey is ZIAVDTKGXIGCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3/c1-5(2)7-3-4(6)8-5/h4,6H,3H2,1-2H3.
What are the key properties of 2,2-dimethyl-1,3-dioxolan-4-ol?
2,2-dimethyl-1,3-dioxolan-4-ol has a molecular weight of 118.13 g/mol, XLogP of 0.09, 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-dioxolan-4-ol is sourced from PubChem (CID 15582219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).